[CP2K-user] [CP2K:19969] Problem Compiling CP2K
Alex
alexmignolet at gmail.com
Sun Feb 25 23:29:26 UTC 2024
I am trying to install CP2K with CUDA (12.3) on my windows 11 machine.
I followed the instructions on https://www.cp2k.org/howto:compile_on_windows
for a parallel CP2K binary including building the toolchain
./install_cp2k_toolchain.sh --install-all --with-gcc=system
--with-mpich=system --with-sirius=no
After that I did as explained at https://www.cp2k.org/howto:
compile_with_cuda (adding the 3 lines to the ARCH file)
When I did this ld could not locate lcudar, lcublas, lcufft, and lnvrtc.
I then added:
sudo ln -s /usr/local/cuda/lib64/libcudart.so /usr/lib/libcudart.so
and similarly for the other 3 libraries. That took care of that problem but
then I received a long list of issues that I do not understand, see
attached log file.
Could you please help me proceed further. I am new at installing those big
codes and understanding and fixing these problems are very new to me
Thank you
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make -C /home/username/github/cp2k/cp2k/exts/dbcsr -f /home/username/github/cp2k/cp2k/exts/build_dbcsr/Makefile \
ARCHFILE=/home/username/github/cp2k/cp2k/arch/local.psmp \
LIBDIR=/home/username/github/cp2k/cp2k/lib/local/psmp/exts/dbcsr \
OBJDIR=/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr \
USE_ACCEL="cuda" \
ACC="" \
ACCFLAGS="-Xcompiler='-Wno-error'"
Removing stale archives for psmp ...
Removing stale archives ...
Resolving dependencies ...
Resolving dependencies for psmp ...
echo git:b4a17a5 > "/home/username/github/cp2k/cp2k/obj/git-ref.tmp"
/usr/bin/mpifort -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:33 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -Wl,--enable-new-dtags -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/scalapack-2.2.1/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/scalapack-2.2.1/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/plumed-2.9.0/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/plumed-2.9.0/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libvori-220621/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/libvori-220621/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/libtorch-1.12.1/lib' -Wl,-rpath='/home/username/github/cp2k/cp2k/tools/toolchain/install/libtorch-1.12.1/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/lib' -L'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/lib' -Wl,-rpath,'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/lib' -L/home/username/github/cp2k/cp2k/lib/local/psmp -o /home/username/github/cp2k/cp2k/exe/local/dbt_tas_unittest.psmp dbt_tas_unittest.o -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/home/username/github/cp2k/cp2k/lib/local/psmp/exts/dbcsr -ldbcsr -lspla -lspfft -lsymspg -lvdwxc -l:libhdf5_fortran.a -l:libhdf5_hl.a -l:libhdf5.a -lz -l:libplumed.a -ldl -lstdc++ -lz -ldl -lgsl -lquip_core -latoms -lFoX_sax -lFoX_common -lFoX_utils -lFoX_fsys -lpexsi -lsuperlu_dist -lptscotchparmetis -lptscotch -lptscotcherr -lscotchmetis -lscotch -lscotcherr -lelpa_openmp -lcosma_prefixed_pxgemm -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -llibgrpp -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpifort -lmpicxx -lmpi -l:libopenblas.a -lvori -lstdc++ -lc10 -ltorch_cpu -ltorch -lstdc++ -lcudart -lcublas -lcufft -lnvrtc
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/dbt/dbt_test.F dbt_test.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/pw/realspace_grid_types.F realspace_grid_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/input_cp2k_colvar.F input_cp2k_colvar.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_types.F topology_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/subsys/molecule_kind_types.F molecule_kind_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:33 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/home/username/github/cp2k/cp2k/src/pw/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' realspace_grid_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' topology_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' input_cp2k_colvar.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/home/username/github/cp2k/cp2k/src/subsys/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' molecule_kind_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:33 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/home/username/github/cp2k/cp2k/src/dbt/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' dbt_test.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_pdb.F topology_pdb.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/atoms_input.F atoms_input.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_input.F topology_input.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_gromos.F topology_gromos.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_xyz.F topology_xyz.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_cp2k.F topology_cp2k.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' atoms_input.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' topology_input.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' topology_pdb.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:34 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' topology_cp2k.F90
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/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/subsys/molecule_types.F molecule_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90
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/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/subsys/molecule_list_types.F molecule_list_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/topology_connectivity_util.F topology_connectivity_util.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/fist_intra_force.F fist_intra_force.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/qs_loc_molecules.F qs_loc_molecules.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90
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/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:35 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' fist_intra_force.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:35 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/home/username/github/cp2k/cp2k/src/subsys/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' molecule_list_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:35 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' topology_connectivity_util.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:35 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/home/username/github/cp2k/cp2k/src/motion/thermostat/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' thermostat_mapping.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/subsys/cp_subsys_types.F cp_subsys_types.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:35 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/home/username/github/cp2k/cp2k/src/subsys/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' cp_subsys_types.F90
Updating archive /home/username/github/cp2k/cp2k/lib/local/psmp/libcp2ksubsys.a
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/eip_environment_types.F eip_environment_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/nnp_environment_types.F nnp_environment_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/embed_types.F embed_types.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/virial_methods.F virial_methods.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/fp_methods.F fp_methods.F90
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/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/negf_control_types.F negf_control_types.F90
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/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/motion/dimer_utils.F dimer_utils.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/eip_silicon.F eip_silicon.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90
/home/username/github/cp2k/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/username/github/cp2k/cp2k/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90
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/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:36 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/home/username/github/cp2k/cp2k/src/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' eip_silicon.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:36 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/home/username/github/cp2k/cp2k/src/motion/thermostat/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' al_system_mapping.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:36 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/home/username/github/cp2k/cp2k/src/motion/thermostat/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' csvr_system_mapping.F90
/usr/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/openblas-0.3.25/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxc-6.2.2/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libgrpp-main-20231215/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/libxsmm-1.17/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/COSMA-2.6.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/scotch-6.0.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/pexsi-1.2.0/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/quip-0.9.10/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/gsl-2.7/include' -I/home/username/github/cp2k/cp2k/tools/toolchain/install/hdf5-1.14.2/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/username/github/cp2k/cp2k/tools/toolchain/install/spglib-1.16.2/include -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' -I'/home/username/github/cp2k/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SCALAPACK -D__COSMA -D__ELPA -D__LIBPEXSI -D__QUIP -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT -D__SPLA -D__ACC -D__DBCSR_ACC -D__PW_CUDA -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sun Feb 25 15:09:36 PST 2024\"" -D__COMPILE_HOST="\"DESKTOP-6FFTID0\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/home/username/github/cp2k/cp2k/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/home/username/github/cp2k/cp2k/src/motion/thermostat/' -I'/home/username/github/cp2k/cp2k/obj/local/psmp/exts/dbcsr' extended_system_mapping.F90
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