[CP2K-user] CP2K Cuda Build - CUDA linking errors.

Phillip Seeber philli... at googlemail.com
Fri Feb 7 16:23:07 UTC 2020
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Dear all,
i am trying to get a CUDA version of CP2K to built. With some edits i 
managed to build the Linux-x86-64-gfortran.psmp without CUDA, but for CUDA 
i get many linking errors. The CUDA version is 10.0. My arch file is 
attached. I have tried both relative and absolute paths to the libraries 
and the static as well as the dynamically linked versions, but none of them 
really works. I have also attached the output of the make command for this 
arch file.

Mostly there are undefined reference errors to cuda functions, but the CUDA 
installation seems to be fine, as i was able to succesfully build ELPA and 
MPI with it.

I would highly appreciate any suggestions to get it running.

Best wishes
Phillip
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make -C /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr \
   INCLUDEMAKE=/beegfs/mi24ris/scratch/build/cp2k-7.1/arch/Linux-x86-64-gfortran.psmp \
   LIBDIR=/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/exts/dbcsr \
   OBJDIR=/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr \
   FYPPEXE=/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp
Removing stale archives for psmp ... 
Resolving dependencies for psmp ... 
Removing stale archives ... 
Resolving dependencies ... 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_kinds.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/dbcsr_machine_internal.F dbcsr_machine_internal.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_machine_internal.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_machine_internal.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_machine.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_machine.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_base_hooks.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_base_hooks.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_base_hooks.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F dbcsr_acc_stream.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_stream.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_stream.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F dbcsr_acc_devmem.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_devmem.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_devmem.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_event.F dbcsr_acc_event.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_event.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_data_types.F dbcsr_data_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_data_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_data_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F dbcsr_acc_hostmem.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_hostmem.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_hostmem.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F dbcsr_mpiwrap.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mpiwrap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mpiwrap.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_ptr_util.F dbcsr_ptr_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_ptr_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_ptr_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_data_methods_low.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_data_methods_low.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_mem_methods.F dbcsr_mem_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mem_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mem_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_data_methods.F dbcsr_data_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_data_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_data_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_array_types.F dbcsr_array_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_array_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_btree.F dbcsr_btree.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_btree.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/dbcsr_block_operations.F dbcsr_block_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_block_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_block_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_methods.F dbcsr_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F dbcsr_mp_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mp_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mp_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_array_sort.F dbcsr_array_sort.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_array_sort.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_array_sort.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_toollib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_toollib.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_device.F dbcsr_acc_device.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_device.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cublaswrap/dbcsr_cublas.F dbcsr_cublas.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_cublas.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cublaswrap/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_cublas.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_config.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_config.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_min_heap.F dbcsr_min_heap.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_min_heap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_min_heap.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F dbcsr_dist_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_dist_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_dist_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/dbcsr_dist_util.F dbcsr_dist_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_dist_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_dist_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/dbcsr_data_operations.F dbcsr_data_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_data_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/data/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_data_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/dbcsr_acc_init.F dbcsr_acc_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F dbcsr_cuda_profiling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_cuda_profiling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_cuda_profiling.F90 
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_dev.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_event.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_init.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_error.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_mem.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_nvtx_cu.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cuda/acc_cuda_stream.cu
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F dbcsr_mp_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mp_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mpi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mp_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F dbcsr_timings_base_type.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_timings_base_type.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_timings_base_type.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_dict.F dbcsr_dict.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_dict.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_dict.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F dbcsr_list_routinestat.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F dbcsr_list_callstackentry.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_list_callstackentry.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_list_callstackentry.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_timings_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_timings_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_timings_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F dbcsr_list_timerenv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F dbcsr_list_routinereport.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_list.F dbcsr_list.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_list.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_list.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_timings.F dbcsr_timings.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_timings.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_timings.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_print_messages.F dbcsr_print_messages.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_print_messages.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_iter_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_string_utilities.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_string_utilities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_string_utilities.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_files.F dbcsr_files.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_files.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_files.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_log_handling.F dbcsr_log_handling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_log_handling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_log_handling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_error_handling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_error_handling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_error_handling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_timings_report.F dbcsr_timings_report.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_timings_report.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_timings_report.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_dist_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dist/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_dist_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_iterator_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_iterator_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/dbcsr_index_operations.F dbcsr_index_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_index_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_index_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/work/dbcsr_work_operations.F dbcsr_work_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_work_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/work/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_work_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/dbcsr_block_access.F dbcsr_block_access.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_block_access.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/block/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_block_access.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F dbcsr_blas_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_blas_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/utils/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_blas_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_operations.F dbcsr_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_types.F dbcsr_mm_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F dbcsr_acc_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_acc_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_acc_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F dbcsr_mm_accdrv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_accdrv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_accdrv.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F dbcsr_mm_hostdrv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_hostdrv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_hostdrv.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F dbcsr_mm_sched.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_sched.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_sched.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F dbcsr_mm_csr.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_csr.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_csr.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F dbcsr_mm_multrec.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_multrec.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_multrec.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_common.F dbcsr_mm_common.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_common.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_common.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_transformations.F dbcsr_transformations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_transformations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_transformations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_io.F dbcsr_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F dbcsr_mm_dist_operations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_dist_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_dist_operations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_cannon.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_cannon.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F dbcsr_mm_3d.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm_3d.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm_3d.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_mm.F dbcsr_mm.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_mm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_mm.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_lib.F dbcsr_lib.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_lib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_lib.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/dbcsr_memory_utilities.F dbcsr_memory_utilities.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_memory_utilities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/core/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_memory_utilities.F90 
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/cublaswrap/cublas.cu
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F dbcsr_multiply_api.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_multiply_api.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/mm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_multiply_api.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_test_methods.F dbcsr_test_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_test_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_test_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F dbcsr_csr_conversions.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_csr_conversions.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_csr_conversions.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/dbcsr_tests.F dbcsr_tests.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/ops/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tests.F90 
/cluster/nvidia/cuda/10/bin/nvcc -c  -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/libsmm_acc/libcusmm/libcusmm_benchmark.cu
g++ -c  -DARCH_NUMBER=60 /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/acc/libsmm_acc/libcusmm/libcusmm.cpp
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_global.F dbcsr_tas_global.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_global.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_global.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_types.F dbcsr_tas_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_util.F dbcsr_tas_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_split.F dbcsr_tas_split.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_split.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_split.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F dbcsr_allocate_wrap.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F dbcsr_tensor_index.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_index.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_index.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F dbcsr_array_list_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_base.F dbcsr_tas_base.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_base.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_base.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_api.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F dbcsr_tensor_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F dbcsr_tensor_block.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_block.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_block.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F dbcsr_tensor_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F dbcsr_tensor_split.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_split.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_split.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F dbcsr_tas_reshape_ops.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_reshape_ops.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_reshape_ops.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F dbcsr_tas_mm.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_mm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_mm.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tas/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tas_test.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F dbcsr_tensor_reshape.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_reshape.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_reshape.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor.F dbcsr_tensor.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F dbcsr_tensor_test.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_test.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_api.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__SHORT_FILE__="\"dbcsr_tensor_api.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src/tensors/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/exts/dbcsr/src' dbcsr_tensor_api.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/exts/dbcsr/libdbcsr.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/kinds.F kinds.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/glob_matching.F glob_matching.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_para_types.F cp_para_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/kahan_sum.F kahan_sum.F90
/cluster/nvidia/cuda/10/bin/nvcc -c  /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cuda_nvtx_cu.cu
mpicc -c -O3 -g -mtune=native /beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/machine_cpuid.c
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/fft_kinds.F fft_kinds.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kinds.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/glob_matching.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glob_matching.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_input_constants.F xc_input_constants.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_para_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kahan_sum.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/constants_operator.F constants_operator.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fft_kinds.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 
echo git:e635599 > "/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/git-ref.tmp"
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constants_operator.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pilaenv_hack.F pilaenv_hack.F90
mpicc -c -O3 -g -mtune=native /beegfs/mi24ris/scratch/build/cp2k-7.1/src/sockets.c
/cluster/nvidia/cuda/10/bin/nvcc -c  /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cuda/pw_cuda_z.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cuda/pw_cuda_utils.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cuda/fft_cuda_utils.cu
/cluster/nvidia/cuda/10/bin/nvcc -c  /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cuda/fft_cuda_z.cu
mpicc -c -O3 -g -mtune=native /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fpga/opencl_utils.c
mpicc -c -O3 -g -mtune=native /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fpga/fft_fpga.c
mpicc -c -O3 -g -mtune=native /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/libcp2k_unittest.c
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/timings_base_type.F timings_base_type.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/lapack.F lapack.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_constants.F input_constants.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fast.F fast.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/grid/grid_fast.F grid_fast.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/grid/xyz_to_vab_optimised.F xyz_to_vab_optimised.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kfpga.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/machine_internal.F machine_internal.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lapack.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/mathconstants.F mathconstants.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' timings_base_type.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_constants.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fast.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"grid/grid_fast.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/grid/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' grid_fast.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' machine_internal.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"grid/xyz_to_vab_optimised.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/grid/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xyz_to_vab_optimised.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mathconstants.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/string_utilities.F string_utilities.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/fft_plan.F fft_plan.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fft_plan.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' string_utilities.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/physcon.F physcon.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/machine.F machine.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' physcon.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kpwcuda.a
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' machine.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/base_hooks.F base_hooks.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/base/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' base_hooks.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kbase.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_grid_types.F pw_grid_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/farming_types.F farming_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/shell_potential_types.F shell_potential_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/orbital_pointers.F orbital_pointers.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' farming_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/orbital_symbols.F orbital_symbols.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/virial_types.F virial_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/atprop_types.F atprop_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy_types.F qs_energy_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_charges_types.F qs_charges_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' virial_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atprop_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/taper_types.F taper_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/sto_ng.F sto_ng.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_types.F qs_dftb_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_onecenter.F ai_onecenter.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' taper_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' sto_ng.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_helpers.F hfx_helpers.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/task_list_types.F task_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' task_list_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/lazy.F lazy.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/integration_grid_types.F integration_grid_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/wannier_states_types.F wannier_states_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lazy.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pexsi_interface.F pexsi_interface.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/splines_types.F splines_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' splines_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/domain_submatrix_types.F domain_submatrix_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/transport_env_types.F transport_env_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/block_p_types.F block_p_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' transport_env_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mscfg_types.F mscfg_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' block_p_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/exclusion_types.F exclusion_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_energy_types.F fist_energy_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mscfg_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_energy_types.F mixed_energy_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' exclusion_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/d3_poly.F d3_poly.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_contraction.F ai_contraction.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"d3_poly.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' d3_poly.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_contraction.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/spglib_f08.F spglib_f08.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' spglib_f08.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mm_mapping_library.F mm_mapping_library.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/wannier90.F wannier90.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/minimax_rpa.F minimax_rpa.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/beta_gamma_psi.F beta_gamma_psi.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/simpar_types.F simpar_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' wannier90.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' simpar_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_move_types.F tmc_move_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_stati.F tmc_stati.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_stati.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_ener_types.F md_ener_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mdctrl_types.F mdctrl_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_ener_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_alloc_types.F negf_alloc_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_integr_utils.F negf_integr_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_utils.F tmc_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mao_types.F mao_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_files.F cp_files.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mao_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/graph_utils.F graph_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfxbase/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_files.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/memory_utilities.F memory_utilities.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' graph_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cuda_profiling.F cuda_profiling.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/parallel_rng_types.F parallel_rng_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' memory_utilities.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cuda_profiling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/whittaker.F whittaker.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mpiwrap/message_passing.F message_passing.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' whittaker.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/list_callstackentry.F list_callstackentry.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/list_routinestat.F list_routinestat.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' list_routinestat.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/mpiwrap/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' message_passing.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/list_routinereport.F list_routinereport.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/callgraph.F callgraph.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/routine_map.F routine_map.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' list_routinereport.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_iter_types.F cp_iter_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' callgraph.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' routine_map.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_result_types.F cp_result_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_result_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/fparser.F fparser.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/splines.F splines.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_array_sort.F cp_array_sort.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/linear_systems.F linear_systems.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/bessel_lib.F bessel_lib.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fparser.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/lebedev.F lebedev.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' splines.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' linear_systems.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' bessel_lib.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lebedev.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/spherical_harmonics.F spherical_harmonics.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/gamma.F gamma.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/print_messages.F print_messages.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/structure_factor_types.F structure_factor_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gamma.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' print_messages.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/string_table.F string_table.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' string_table.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_min_heap.F cp_min_heap.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/mathlib.F mathlib.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/powell.F powell.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mathlib.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' powell.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_os_rr.F ai_os_rr.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/libint_wrapper.F libint_wrapper.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' libint_wrapper.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mol_force.F mol_force.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_modify_pab_block.F qs_modify_pab_block.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap3.F ai_overlap3.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mol_force.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_modify_pab_block.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_modify_pab_block.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_derivatives.F ai_derivatives.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/construct_shg.F construct_shg.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' construct_shg.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/s_contract_shg.F s_contract_shg.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_verfc.F ai_verfc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_verfc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_angmom.F ai_angmom.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fermi_utils.F fermi_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_angmom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp2k_info.F cp2k_info.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fermi_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp2k_info.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kgrid.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/periodic_table.F periodic_table.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' periodic_table.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/xml_parser.F xml_parser.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xml_parser.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_fpga.F pw_fpga.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_coulomb.F ai_coulomb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_fpga.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_grid_atom.F qs_grid_atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hartree_local_types.F hartree_local_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pair_potential_types.F pair_potential_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_kinetic.F ai_kinetic.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/molsym.F molsym.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/header.F header.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molsym.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"header.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' header.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_elec_field.F ai_elec_field.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/csvr_system_utils.F csvr_system_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/timings_types.F timings_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/util.F util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/structure_factors.F structure_factors.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' timings_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' structure_factors.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap.F ai_overlap.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ao_util.F ao_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/list_timerenv.F list_timerenv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ao_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' list_timerenv.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/fft_lib.F fft_lib.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_basis_types.F optimize_basis_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_field_types.F force_field_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fft_lib.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pair_potential_util.F pair_potential_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_field_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/graphcon.F graphcon.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/sap_kind_types.F sap_kind_types.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kfft.a
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/list.F list.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' graphcon.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' list.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/timings.F timings.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' timings.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_oce_types.F qs_oce_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gcp_types.F qs_gcp_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/graph_methods.F graph_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' graph_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/debug_os_integrals.F debug_os_integrals.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_moments.F ai_moments.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_moments.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmpiwrap.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/group_dist_types.F group_dist_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' group_dist_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/dbcsrx/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_para_env.F cp_para_env.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_log_handling.F cp_log_handling.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/reference_manager.F reference_manager.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/t_c_g0.F t_c_g0.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_result_methods.F cp_result_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/timings_report.F timings_report.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_para_env.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' reference_manager.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' t_c_g0.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' timings_report.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_types.F cp_parser_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_units.F cp_units.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_array_utils.F cp_array_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cg_test.F cg_test.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/cp_error_handling.F cp_error_handling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_units.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cg_test.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/input_enumeration_types.F input_enumeration_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/fft_tools.F fft_tools.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/minimax_exp.F minimax_exp.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/splines_methods.F splines_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fft_tools.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/minimax/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minimax_exp.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' splines_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ls_matrix_exp.F ls_matrix_exp.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmetadyn_tools.a
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/graph.F graph.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/libint_2c_3c.F libint_2c_3c.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadyn_tools/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' graph.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_blacs_env.F cp_blacs_env.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kminimax.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/distribution_1d_types.F distribution_1d_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/bibliography.F bibliography.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/common/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' bibliography.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_parser_methods.F cp_parser_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/global_types.F global_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_struct.F cp_fm_struct.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/distribution_2d_types.F distribution_2d_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' global_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_types.F almo_scf_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ct_types.F ct_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ct_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_external_control.F cp_external_control.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/statistical_methods.F statistical_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_external_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' statistical_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_types.F cp_fm_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_upf.F atom_upf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm_message.F swarm_message.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_upf.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm_message.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pexsi_types.F pexsi_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cryssym.F cryssym.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cp_lbfgs.F cp_lbfgs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cryssym.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pexsi_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kcommon.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/input_val_types.F input_val_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/cell_types.F cell_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_val_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cell_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 
mpif90 -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\""  -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp -o /beegfs/mi24ris/scratch/build/cp2k-7.1/exe/Linux-x86-64-gfortran/graph.psmp graph.o  -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/exts/dbcsr -ldbcsr "/home/mi24ris/software-new/apps/plumed/2.5.3/lib/libplumed.a" -lgsl -lgslcblas -lz -ldl -lpthread -lstdc++ -lrt /home/mi24ris/software-new/libs/elpa/2019.05.001/lib/libelpa_openmp.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxcf03.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxc.a /home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/lib/libint2.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3_omp.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmmf.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmm.a /home/mi24ris/software-new/libs/scalapack/mvapich2/2.3.3/openblas/32int/2.0.2/lib/libscalapack.a /home/mi24ris/software-new/libs/blas/openblas/openmp/32int/0.3.7/lib/libopenblas_haswellp-r0.3.7.a /cluster/nvidia/cuda/10/lib64/libcudart_static.a /cluster/nvidia/cuda/10/lib64/libcublas_static.a /cluster/nvidia/cuda/10/lib64/libcufft_static.a /cluster/nvidia/cuda/10/lib64/libculibos.a /cluster/nvidia/cuda/10/lib64/libnvrtc.so /cluster/nvidia/cuda/10/lib64/libnvToolsExt.so.1.0.0
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subcell_types.F subcell_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_types.F tmc_types.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libdbcsrx.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' subcell_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/input_keyword_types.F input_keyword_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_cfm_types.F cp_cfm_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_diis_types.F qs_diis_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/preconditioner_types.F preconditioner_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_vect.F cp_fm_vect.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/et_coupling_types.F et_coupling_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_laplace.F mp2_laplace.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/input_section_types.F input_section_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_section_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_green_cache.F negf_green_cache.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_fm_diag.F cp_fm_diag.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_grid_info.F pw_grid_info.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_grids.F pw_grids.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_integr_cc.F negf_integr_cc.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_green_methods.F negf_green_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_integr_simpson.F negf_integr_simpson.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/fm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_grids.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/cp_output_handling.F cp_output_handling.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/external_potential_types.F external_potential_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_field.F input_cp2k_field.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/basis_set_types.F basis_set_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_types.F atom_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dispersion_types.F qs_dispersion_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' basis_set_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' external_potential_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mom_types.F qs_mom_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_input.F qs_fb_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_tb.F input_cp2k_tb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rel_control_types.F rel_control_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_efield_types.F fist_efield_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadynamics_types.F metadynamics_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rel_control_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/extended_system_types.F extended_system_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/input_parsing.F input_parsing.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' extended_system_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/input/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_parsing.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_basis_utils.F optimize_basis_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_optimize_basis.F input_optimize_basis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermal_region_types.F thermal_region_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/reftraj_types.F reftraj_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/free_energy_types.F free_energy_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' reftraj_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' free_energy_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/gopt_param_types.F gopt_param_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_types.F helium_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_restart_rng.F input_restart_rng.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_history.F glbopt_history.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm_mpi.F swarm_mpi.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_history.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kinput.a
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kfm.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xtb_types.F xtb_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_utils.F qs_dftb_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mo_types.F qs_mo_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xtb_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ot_types.F qs_ot_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_almo.F input_cp2k_almo.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/linesearch.F linesearch.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' linesearch.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_transport.F input_cp2k_transport.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_period_efield_types.F qs_period_efield_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fp_types.F fp_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fp_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_gemm_interface.F cp_gemm_interface.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_gemm_interface.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_read.F input_cp2k_read.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_embed.F input_cp2k_embed.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_resp.F input_cp2k_resp.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_eip.F input_cp2k_eip.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_input.F glbopt_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_optimize_input.F input_optimize_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/gle_system_types.F gle_system_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/al_system_types.F al_system_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gle_system_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/csvr_system_types.F csvr_system_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' al_system_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/farming_methods.F farming_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/outer_scf_control_types.F outer_scf_control_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_control.F xas_control.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kpoint_transitional.F kpoint_transitional.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_active_space_types.F qs_active_space_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' farming_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_charge_mixing.F qs_charge_mixing.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_optimization.F atom_optimization.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_check.F input_cp2k_check.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_methods.F qs_scf_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/preconditioner_apply.F preconditioner_apply.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/matrix_exp.F matrix_exp.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_negf.F input_cp2k_negf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_optimization.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' matrix_exp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_types.F pw_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_matrix_pools.F qs_matrix_pools.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_types.F pao_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm_input.F swarm_input.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/arnoldi/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho_types.F qs_rho_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_cuda.F pw_cuda.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermostat_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dct.F dct.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_cuda.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dct.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho0_types.F qs_rho0_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hirshfeld_types.F hirshfeld_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pair_potential.F pair_potential.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_param_fock.F pao_param_fock.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pair_potential.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/particle_types.F particle_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' particle_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_force_types.F qs_force_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_input.F pao_input.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_force_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_input.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/preconditioner_makes.F preconditioner_makes.F90
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libdbcsrarnoldi.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/particle_list_types.F particle_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_wf_history_types.F qs_wf_history_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kpoint_types.F kpoint_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' particle_list_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kpoint_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_types.F qs_loc_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/manybody_tersoff.F manybody_tersoff.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/manybody_eam.F manybody_eam.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/manybody_siepmann.F manybody_siepmann.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/manybody_quip.F manybody_quip.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/iterate_matrix.F iterate_matrix.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' manybody_eam.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_condnum.F qs_condnum.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' manybody_quip.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_symmetry.F cp_symmetry.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_condnum.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rmsd.F rmsd.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tensors_types.F qs_tensors_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rmsd.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/grrm_utils.F grrm_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_cdft_types.F qs_cdft_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/colvar_types.F colvar_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' grrm_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/multipole_types.F multipole_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' colvar_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' multipole_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_methods.F pw_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_o3c_types.F qs_o3c_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/generic_os_integrals.F generic_os_integrals.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_environment_utils.F mixed_environment_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_int/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_optimizer.F pao_optimizer.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/aux_basis_set.F aux_basis_set.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/soft_basis_set.F soft_basis_set.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/aobasis/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_utils.F atom_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xtb_parameters.F xtb_parameters.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_ls.F input_cp2k_ls.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_o3c_methods.F qs_o3c_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_localization_methods.F qs_localization_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_methods.F almo_scf_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ct_methods.F ct_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ct_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kao.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_control_types.F cp_control_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_environment_types.F lri_environment_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_control_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/manybody_potential.F manybody_potential.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' manybody_potential.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/preconditioner_solvers.F preconditioner_solvers.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/admm_dm_types.F admm_dm_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/admm_types.F admm_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' admm_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_local_rho_types.F qs_local_rho_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rt_propagation_types.F rt_propagation_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/s_square_methods.F s_square_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tdp_types.F xas_tdp_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' s_square_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/paw_proj_set_types.F paw_proj_set_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/realspace_grid_types.F realspace_grid_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/admm_utils.F admm_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optbas_opt_utils.F optbas_opt_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' admm_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_compression.F lri_compression.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:46 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_compression.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_make_propagators.F rt_make_propagators.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:46 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kshg_int.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_integrals.F lri_integrals.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:46 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_integrals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_types.F topology_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atoms_input.F atoms_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_pdb.F topology_pdb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_cp2k.F topology_cp2k.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_gromos.F topology_gromos.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_input.F topology_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_xyz.F topology_xyz.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atoms_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_gromos.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_pdb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_xyz.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/molecule_types.F molecule_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/lgrid_types.F lgrid_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/cube_utils.F cube_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecule_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/lgrid_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lgrid_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dgs.F dgs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cube_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pme_tools.F pme_tools.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dgs.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pme_tools.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/gauss_colloc.F gauss_colloc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"gauss_colloc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gauss_colloc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mm_collocate_potential.F mm_collocate_potential.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_molecules.F qs_loc_molecules.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_connectivity_util.F topology_connectivity_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/molecule_list_types.F molecule_list_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_environment_types.F kg_environment_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_intra_force.F fist_intra_force.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_pool_types.F pw_pool_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_sgp.F atom_sgp.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_sgp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/subsys/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dielectric_types.F dielectric_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/mt_util.F mt_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_spline_utils.F pw_spline_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/rs_methods.F rs_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_derivative_types.F xc_derivative_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dielectric_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mt_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rs_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_implicit_types.F ps_implicit_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2ksubsys.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eip_environment_types.F eip_environment_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/embed_types.F embed_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/virial_methods.F virial_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' embed_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' virial_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fp_methods.F fp_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/dimer_types.F dimer_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fp_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dimer_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_control_types.F negf_control_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_control_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_poisson_types.F pw_poisson_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eip_silicon.F eip_silicon.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dielectric_methods.F dielectric_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/dimer_utils.F dimer_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eip_silicon.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dimer_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/al_system_init.F al_system_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' al_system_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dg_rho0_types.F dg_rho0_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/pw_env_types.F pw_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_subgroup_types.F negf_subgroup_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/dg_types.F dg_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_integrate_potential_low.F qs_integrate_potential_low.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dg_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_integrate_potential_low.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_low.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_types.F semi_empirical_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:54 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2khfxbase.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewald_spline_util.F ewald_spline_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kpw_env.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_mm.F input_cp2k_mm.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewald_environment_types.F ewald_environment_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_optx.F xc_optx.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_vwn.F xc_vwn.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_ke_gga.F xc_ke_gga.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_tpss.F xc_tpss.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbeef.F xc_xbeef.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xwpbe.F xc_xwpbe.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_optx.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_vwn.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_tpss.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_libxc.F xc_libxc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_hcth.F xc_hcth.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_libxc.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_hcth.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_b97.F xc_b97.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_cs1.F xc_cs1.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_b97.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xalpha.F xc_xalpha.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_cs1.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_sr_lda.F xc_sr_lda.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_pbe.F xc_pbe.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_sr_lda.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_sr_lda.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbecke88.F xc_xbecke88.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_pbe.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_tfw.F xc_tfw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_tfw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_pade.F xc_pade.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_lyp.F xc_lyp.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_pade.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_lyp.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:17:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_nonbond_force.F fist_nonbond_force.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_p_env_types.F qs_p_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_perdew86.F xc_perdew86.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kpw.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewald_pw_types.F ewald_pw_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/spme.F spme.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewalds_multipole.F ewalds_multipole.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pme.F pme.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewald_pw_methods.F ewald_pw_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewalds.F ewalds.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cell_methods.F cell_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/shg_integrals_test.F shg_integrals_test.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"spme.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' spme.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pme.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pme.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewalds.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cell_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_ddapc_types.F cp_ddapc_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_cif.F topology_cif.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_xtl.F topology_xtl.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_neb.F input_cp2k_neb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_cif.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_xtl.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ewald_methods_tb.F ewald_methods_tb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_utils.F semi_empirical_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_kind_types.F qs_kind_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_pol_scf.F fist_pol_scf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_types.F hfx_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_subsys_types.F qs_subsys_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_types.F qs_linres_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_cdft_types.F mixed_cdft_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/particle_methods.F particle_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_integral_utils.F qs_integral_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atomic_charges.F atomic_charges.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/core_ppl.F core_ppl.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_oce_methods.F qs_oce_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/core_ae.F core_ae.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/core_ppnl.F core_ppnl.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/molden_utils.F molden_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_interactions.F qs_interactions.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' particle_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atomic_charges.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' core_ppnl.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molden_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' core_ppl.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' core_ae.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_interactions.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/distribution_methods.F distribution_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' distribution_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/auto_basis.F auto_basis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' auto_basis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/commutator_rpnl.F commutator_rpnl.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pwdft_environment_types.F pwdft_environment_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/commutator_rkinetic.F commutator_rkinetic.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_atom_map.F negf_atom_map.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_vectors.F negf_vectors.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_vectors.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_types.F qs_ks_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_env_types.F qs_fb_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_environment_types.F mixed_environment_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mulliken.F mulliken.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mulliken.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_libint_interface.F hfx_libint_interface.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_compression_methods.F hfx_compression_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_matrix_utils.F negf_matrix_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_types.F qs_scf_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/task_list_methods.F task_list_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' task_list_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_derivatives.F xc_derivatives.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_global.F input_cp2k_global.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_overlap.F qs_overlap.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc.F xc.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_output.F atom_output.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc_write_output.F xc_write_output.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cell_opt_utils.F cell_opt_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_overlap.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_write_output.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_output.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_kinetic.F qs_kinetic.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_vxc.F qs_vxc.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/xc_atom.F xc_atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_atom.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_vxc.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kxc.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_xc.F atom_xc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_xc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_electronic_structure.F atom_electronic_structure.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:46 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:47 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/eri_mme/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2keri_mme.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_types.F mp2_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_types_low.F qmmm_types_low.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_environment_types.F fist_environment_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_fields_all.F force_fields_all.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_links_methods.F qmmm_links_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_util.F topology_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_topology_util.F qmmm_topology_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_elpot.F qmmm_elpot.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_fields_all.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_xc.F input_cp2k_xc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_setup.F mp2_setup.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_setup.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_dft.F input_cp2k_dft.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_atom.F input_cp2k_atom.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:53 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_coordinate_util.F topology_coordinate_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_generate_util.F topology_generate_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:54 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:54 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_communication.F rpa_communication.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_communication.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_fields_util.F force_fields_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_fields_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/bse.F bse.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_gw_ic.F rpa_gw_ic.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"bse.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' bse.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_amber.F topology_amber.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_amber.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/scf_control_types.F scf_control_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' scf_control_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_fields_input.F force_fields_input.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:18:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_fields_input.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_env_types.F xas_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kpoint_methods.F kpoint_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_environment_types.F qs_environment_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mo_occupation.F qs_mo_occupation.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_psf.F topology_psf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_psf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_fields_ext.F force_fields_ext.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mo_methods.F qs_mo_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_fields.F force_fields.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_types.F qmmm_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/moments_utils.F moments_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/efield_tb_methods.F efield_tb_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_fields.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_collocate_density.F qs_collocate_density.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hartree_local_methods.F hartree_local_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' moments_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_atom.F qs_ks_atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_communication.F hfx_communication.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:04 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_communication.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_screening_methods.F hfx_screening_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_vxc_atom.F qs_vxc_atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:04 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:04 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/surface_dipole.F surface_dipole.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:04 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_sccs.F qs_sccs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' surface_dipole.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_sccs.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_forces.F lri_forces.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_forces.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_core_energies.F qs_core_energies.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dkh_main.F dkh_main.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/efield_utils.F efield_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dkh_main.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' efield_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mixing_utils.F qs_mixing_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/preconditioner.F preconditioner.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_diis.F qs_diis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' preconditioner.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_diis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_environment_init.F lri_environment_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/basis_set_output.F basis_set_output.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pw_env_methods.F pw_env_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' basis_set_output.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_utils.F qs_loc_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/wannier_states.F wannier_states.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' wannier_states.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_external_potential.F qs_external_potential.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_core_core.F se_core_core.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_core_core.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_external_density.F qs_external_density.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gcp_method.F qs_gcp_method.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_external_density.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_potentials.F pao_potentials.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_potentials.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_linpot_full.F pao_linpot_full.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_operators_ao.F qs_operators_ao.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gcp_utils.F qs_gcp_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mao_methods.F mao_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_epr_hyp.F qs_epr_hyp.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_commutators.F qs_commutators.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mao_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_commutators.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_eri.F mp2_eri.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_weights.F mp2_weights.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_eri.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_weights.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_weights.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/et_coupling.F et_coupling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' et_coupling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rt_propagation_forces.F rt_propagation_forces.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_init.F qmmm_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/admm_dm_methods.F admm_dm_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_moments.F qs_moments.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_moments.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xtb_coulomb.F xtb_coulomb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/admm_methods.F admm_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mo_io.F qs_mo_io.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dft_plus_u.F dft_plus_u.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' admm_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ot.F qs_ot.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ot.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/population_analyses.F population_analyses.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/stm_images.F stm_images.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy_window.F qs_energy_window.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' population_analyses.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' stm_images.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_elf_methods.F qs_elf_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_dipole.F qs_loc_dipole.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/molecular_dipoles.F molecular_dipoles.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/molecular_states.F molecular_states.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecular_states.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_core_matrix.F se_core_matrix.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_param_gth.F pao_param_gth.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_param_exp.F pao_param_exp.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_fermi_contact.F qs_fermi_contact.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_spin_orbit.F qs_spin_orbit.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_elec_field.F qs_elec_field.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_resp.F qs_resp.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_resp.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xray_diffraction.F xray_diffraction.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tensors.F qs_tensors.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/et_coupling_proj.F et_coupling_proj.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tensors.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/library_tests.F library_tests.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmmx_types.F qmmmx_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' library_tests.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_efield_methods.F fist_efield_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_ddapc_util.F cp_ddapc_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ri_environment_methods.F ri_environment_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_environment_methods.F lri_environment_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_integrate_potential.F qs_integrate_potential.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_energy_potential.F hfx_energy_potential.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_derivatives.F hfx_derivatives.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_operators.F atom_operators.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_operators.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_efield_berry.F qs_efield_berry.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kpoint_io.F kpoint_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kpoint_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/molecular_moments.F molecular_moments.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' molecular_moments.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_param_linpot.F pao_param_linpot.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mao_optimizer.F mao_optimizer.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:18 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tdp_utils.F xas_tdp_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_efield_local.F qs_efield_local.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_ks_methods.F lri_ks_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_environment.F kg_environment.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_op.F qs_linres_op.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_environment.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xtb_ehess.F xtb_ehess.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_env_types.F force_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_force.F fist_force.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_env_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xtb_matrices.F xtb_matrices.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_force.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_image_charge.F qmmm_image_charge.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_ddapc.F cp_ddapc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/se_fock_matrix.F se_fock_matrix.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mao_basis.F mao_basis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mao_basis.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_im_time.F rpa_im_time.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_gpw_method.F mp2_gpw_method.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho_methods.F qs_rho_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_utils.F qs_ks_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion_utils.F motion_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' motion_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_param.F pao_param.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_fxd.F constraint_fxd.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_param.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_vsite.F constraint_vsite.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/environment.F environment.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:25 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' environment.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadynamics_utils.F metadynamics_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:25 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_admm_methods.F atom_admm_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_grb.F atom_grb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermal_region_utils.F thermal_region_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_grb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cell_opt_types.F cell_opt_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_types.F neb_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/input_restart_force_eval.F input_restart_force_eval.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_types.F mc_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:26 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/external_potential_methods.F external_potential_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_util.F qmmm_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_rho0_methods.F qs_rho0_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_correction.F kg_correction.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_correction.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_fit.F atom_fit.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_fit.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_output.F qs_scf_output.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ot_scf.F qs_ot_scf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_restart.F xas_restart.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minbas_methods.F minbas_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_restart.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_ri_libint.F mp2_ri_libint.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minbas_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_cphf.F mp2_cphf.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_axk.F rpa_axk.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_4x6.F constraint_4x6.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:29 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_3x3.F constraint_3x3.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_axk.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_md_utils.F neb_md_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_pdos.F qs_pdos.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_pdos.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_methods.F qs_loc_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_io.F pao_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/colvar_methods.F colvar_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_ri_grad.F mp2_ri_grad.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_io.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' colvar_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_rse.F rpa_rse.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_rse.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tdp_atom.F xas_tdp_atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_se_forces.F qmmm_se_forces.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmmx_util.F qmmmx_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/gopt_f_types.F gopt_f_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_misc.F mc_misc.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_misc.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_move_control.F mc_move_control.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_move_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_se_energy.F qmmm_se_energy.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gapw_densities.F qs_gapw_densities.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_current.F qs_linres_current.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_ri_2c.F mp2_ri_2c.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hfx_admm_utils.F hfx_admm_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_direct_method.F mp2_direct_method.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_gw_kpoints.F rpa_gw_kpoints.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_gw_kpoints.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_basis.F atom_basis.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_pseudo.F atom_pseudo.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_basis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_energy.F atom_energy.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_energy.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' extended_system_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cg_utils.F cg_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cg_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_loc_states.F qs_loc_states.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_ml.F pao_ml.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_ml.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_methods.F qs_linres_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xc_pot_saop.F xc_pot_saop.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/barostat_types.F barostat_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' barostat_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rtp_admm_methods.F rtp_admm_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_integrals.F mp2_integrals.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' barostat_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/localization_tb.F localization_tb.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' localization_tb.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/thermostat/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/atom.F atom.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"atom.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' atom.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_kpoints.F rpa_kpoints.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_util.F rpa_util.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_kpoints.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_kpoints.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_util.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kthermostat.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/input_cp2k_md.F input_cp2k_md.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/transport.F transport.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/sirius_interface.F sirius_interface.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/hirshfeld_methods.F hirshfeld_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' sirius_interface.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"transport.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' transport.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/simpar_methods.F simpar_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' simpar_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:41 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_cdft_utils.F qs_cdft_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:42 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/colvar_utils.F colvar_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/restraint.F restraint.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_util.F constraint_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint_clv.F constraint_clv.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/metadynamics.F metadynamics.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' colvar_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' restraint.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint_clv.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' metadynamics.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/input_cp2k.F input_cp2k.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:44 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology_constraint_util.F topology_constraint_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/averages_types.F averages_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/constraint.F constraint.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' averages_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' constraint.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_cdft_methods.F qs_cdft_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_control_utils.F cp_control_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:45 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_environment_types.F md_environment_types.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:46 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_environment_types.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_env_utils.F force_env_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:47 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_env_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/topology.F topology.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/integrator_utils.F integrator_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/reftraj_util.F reftraj_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/free_energy_methods.F free_energy_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/wiener_process.F wiener_process.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/glbopt_callback.F glbopt_callback.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"topology.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' topology.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' reftraj_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' wiener_process.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' integrator_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mdctrl_methods.F mdctrl_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp_subsys_methods.F cp_subsys_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_master.F glbopt_master.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_master.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_energies.F md_energies.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_energies.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm_master.F swarm_master.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm_master.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_subsys_methods.F qs_subsys_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_environment.F mixed_environment.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/embed_environment.F embed_environment.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_environment.F fist_environment.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/eip_environment.F eip_environment.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_environment.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' embed_environment.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_environment.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' eip_environment.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_ks_methods.F qs_ks_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/embed_main.F embed_main.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mixed_main.F mixed_main.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' embed_main.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mixed_main.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pwdft_environment.F pwdft_environment.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:52 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_post_se.F qs_scf_post_se.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy_init.F qs_energy_init.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_active_space_methods.F qs_active_space_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/kg_energy_corrections.F kg_energy_corrections.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_qs.F almo_scf_qs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"kg_energy_corrections.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' kg_energy_corrections.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_basis_gradient.F qs_basis_gradient.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_local_properties.F qs_local_properties.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:57 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_mom_methods.F qs_mom_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_p_env_methods.F qs_p_env_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_outer_scf.F qs_outer_scf.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:19:59 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_initial_guess.F qs_initial_guess.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:00 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_linres_module.F qs_linres_module.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_environment_methods.F qs_environment_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:01 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:02 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_initialization.F qs_scf_initialization.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pexsi_methods.F pexsi_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:06 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_methods.F pao_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/pao_main.F pao_main.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pao_main.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_environment.F qs_environment.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:15 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_environment.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_gamma2kp.F qs_gamma2kp.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_create.F qmmm_create.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_create.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_band_structure.F qs_band_structure.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_wannier90.F qs_wannier90.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmmx_create.F qmmmx_create.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmmx_update.F qmmmx_update.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_gw.F rpa_gw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_gw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/rpa_main.F rpa_main.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rpa_main.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/dm_ls_scf.F dm_ls_scf.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_propagation_output.F rt_propagation_output.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_scf.F qs_scf.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/almo_scf.F almo_scf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_scf.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' almo_scf.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:32 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2_gpw.F mp2_gpw.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/rt_propagator_init.F rt_propagator_init.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/emd/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tp_scf.F xas_tp_scf.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kemd.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_methods.F xas_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:39 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mp2.F mp2.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:40 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mp2.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/xas_tdp_methods.F xas_tdp_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy_utils.F qs_energy_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_energy.F qs_energy.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:50 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_energy.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qs_force.F qs_force.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/bsse.F bsse.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_env_types.F negf_env_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mscfg_methods.F mscfg_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' bsse.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qs_force.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_env_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:51 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/negf_methods.F negf_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:54 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' negf_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmm_force.F qmmm_force.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:55 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmm_force.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/qmmmx_force.F qmmmx_force.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:56 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/force_env_methods.F force_env_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:20:58 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' force_env_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/cp2k_debug.F cp2k_debug.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/fist_main.F fist_main.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/ipi_driver.F ipi_driver.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' fist_main.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:04 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:03 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' ipi_driver.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/f77_interface.F f77_interface.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:05 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' f77_interface.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_calculations.F tmc_calculations.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/replica_types.F replica_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_basis.F optimize_basis.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_control.F mc_control.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/optimize_input.F optimize_input.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:07 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' replica_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_basis.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_control.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:08 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' optimize_input.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/replica_methods.F replica_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_types.F pint_types.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_file_io.F tmc_file_io.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_moves.F tmc_moves.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' replica_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_types.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_moves.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:09 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_staging.F pint_staging.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_normalmode.F pint_normalmode.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_pile.F pint_pile.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_public.F pint_public.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_gle.F pint_gle.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_staging.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_public.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_pile.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_gle.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_common.F helium_common.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/mode_selective.F mode_selective.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:10 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_common.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mode_selective.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_transformations.F pint_transformations.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_transformations.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:11 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_io.F pint_io.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_io.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:12 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:13 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_qtb.F pint_qtb.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_piglet.F pint_piglet.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_piglet.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_qtb.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_interactions.F helium_interactions.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:14 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_interactions.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/vibrational_analysis.F vibrational_analysis.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_io.F helium_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:16 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_messages.F tmc_messages.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_analysis.F tmc_analysis.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_messages.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/gopt_f_methods.F gopt_f_methods.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/rt_propagation.F rt_propagation.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_util.F md_util.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_io.F neb_io.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_util.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' rt_propagation.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:17 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_io.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_worm.F helium_worm.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cg_optimizer.F cg_optimizer.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_worm.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_master.F tmc_master.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_worker.F tmc_worker.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:19 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_master.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:20 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_worker.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/shell_opt.F shell_opt.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:21 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' shell_opt.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/tmc_setup.F tmc_setup.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:22 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/tmc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tmc_setup.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/cell_opt.F cell_opt.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/geo_opt.F geo_opt.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cell_opt.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' geo_opt.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/integrator.F integrator.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_vel_utils.F md_vel_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:23 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' integrator.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2ktmc.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/dimer_methods.F dimer_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:24 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' dimer_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_sampling.F helium_sampling.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:25 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_sampling.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:27 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/md_run.F md_run.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:28 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' md_run.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/helium_methods.F helium_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:30 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' helium_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/tamc_run.F tamc_run.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_utils.F neb_utils.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/glbopt_worker.F glbopt_worker.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_moves.F mc_moves.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' tamc_run.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_utils.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:31 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_moves.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm_worker.F swarm_worker.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:33 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm_worker.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/swarm.F swarm.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:34 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/swarm/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' swarm.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kswarm.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_opt_utils.F neb_opt_utils.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:35 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/pint_methods.F pint_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:36 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' pint_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/neb_methods.F neb_methods.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:37 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' neb_methods.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/mc_run.F mc_run.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:38 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/motion/mc/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' mc_run.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmc.a
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmotion.a
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/cp2k_runs.F cp2k_runs.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:43 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/cp2k_shell.F cp2k_shell.F90
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/libcp2k.F libcp2k.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:47 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' libcp2k.F90 
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:47 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 
/beegfs/mi24ris/scratch/build/cp2k-7.1/tools/build_utils/fypp -n /beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/cp2k.F cp2k.F90
mpif90 -c -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:48 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/src/start/' -I'/beegfs/mi24ris/scratch/build/cp2k-7.1/obj/Linux-x86-64-gfortran/psmp/exts/dbcsr' cp2k.F90 
Updating archive /beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/libcp2kstart.a
mpif90 -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\""  -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp -o /beegfs/mi24ris/scratch/build/cp2k-7.1/exe/Linux-x86-64-gfortran/cp2k.psmp cp2k.o  -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kpwcuda -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/exts/dbcsr -ldbcsr "/home/mi24ris/software-new/apps/plumed/2.5.3/lib/libplumed.a" -lgsl -lgslcblas -lz -ldl -lpthread -lstdc++ -lrt /home/mi24ris/software-new/libs/elpa/2019.05.001/lib/libelpa_openmp.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxcf03.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxc.a /home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/lib/libint2.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3_omp.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmmf.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmm.a /home/mi24ris/software-new/libs/scalapack/mvapich2/2.3.3/openblas/32int/2.0.2/lib/libscalapack.a /home/mi24ris/software-new/libs/blas/openblas/openmp/32int/0.3.7/lib/libopenblas_haswellp-r0.3.7.a /cluster/nvidia/cuda/10/lib64/libcudart_static.a /cluster/nvidia/cuda/10/lib64/libcublas_static.a /cluster/nvidia/cuda/10/lib64/libcufft_static.a /cluster/nvidia/cuda/10/lib64/libculibos.a /cluster/nvidia/cuda/10/lib64/libnvrtc.so /cluster/nvidia/cuda/10/lib64/libnvToolsExt.so.1.0.0
mpif90 -O3 -g -mtune=native -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__PLUMED2 -D__PW_CUDA -D__CUDA_PROFILING -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -ffree-form -ffree-line-length-none -fopenmp -ftree-vectorize -funroll-loops -std=f2008 -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/elpa -I/home/mi24ris/software-new/libs/elpa/2019.05.001/include/elpa_openmp-2019.05.001/modules -I/cluster/nvidia/cuda/10/include -I/home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/include -I/home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/include -I/home/mi24ris/software-new/libs/libxc/4.3.4o/include -I/home/mi24ris/software-new/libs/libxsmm/1.14o/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fr 7. Feb 17:21:49 CET 2020\"" -D__COMPILE_HOST="\"login01\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/beegfs/mi24ris/scratch/build/cp2k-7.1/data\""   -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp -o /beegfs/mi24ris/scratch/build/cp2k-7.1/exe/Linux-x86-64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o  -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kpwcuda -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/beegfs/mi24ris/scratch/build/cp2k-7.1/lib/Linux-x86-64-gfortran/psmp/exts/dbcsr -ldbcsr "/home/mi24ris/software-new/apps/plumed/2.5.3/lib/libplumed.a" -lgsl -lgslcblas -lz -ldl -lpthread -lstdc++ -lrt /home/mi24ris/software-new/libs/elpa/2019.05.001/lib/libelpa_openmp.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxcf03.a /home/mi24ris/software-new/libs/libxc/4.3.4o/lib/libxc.a /home/mi24ris/software-new/libs/libint/2.6.0o-cp2k/lib/libint2.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3.a /home/mi24ris/software-new/libs/fftw/mvapich2/2.3.3/3.3.8/lib/libfftw3_omp.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmmf.a /home/mi24ris/software-new/libs/libxsmm/1.14o/lib/libxsmm.a /home/mi24ris/software-new/libs/scalapack/mvapich2/2.3.3/openblas/32int/2.0.2/lib/libscalapack.a /home/mi24ris/software-new/libs/blas/openblas/openmp/32int/0.3.7/lib/libopenblas_haswellp-r0.3.7.a /cluster/nvidia/cuda/10/lib64/libcudart_static.a /cluster/nvidia/cuda/10/lib64/libcublas_static.a /cluster/nvidia/cuda/10/lib64/libcufft_static.a /cluster/nvidia/cuda/10/lib64/libculibos.a /cluster/nvidia/cuda/10/lib64/libnvrtc.so /cluster/nvidia/cuda/10/lib64/libnvToolsExt.so.1.0.0
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