[CP2K-user] [CP2K:20294] Errors in Compiling CP2K 9.1

Lenard Carroll lenardcarroll27 at gmail.com
Tue Jun 11 11:54:30 UTC 2024
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Good day, I am trying to compile CP2K 9.1 for use with an AIMD Ryzen-3960X 
and 2 RTX 3070 Ti GPUs. Ubuntu 20.04

I started off by editing the install_cp2k_toolchain.sh to not use MKL or 
ELPA. To use OpenMPI, GPU version V100, to enable CUDA and to install a few 
libraries/packages. Many of them I also compiled manually because I was 
getting many errors doing it through CP2K's toolchain. I am including the 
toolchain file just in case.

Unfortunately I have obtained several errors.

The toolchain process goes smoothly, it is the *make *process that is not 
going well:

I have included the output of the make process

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 make -j 48 ARCH=local_cuda VERSION="psmp"
Discovering programs ...
make -C /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr -f /mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr/Makefile \
   ARCHFILE=/mnt/c/Users/Lenard/cp2k-9.1.0/arch/local_cuda.psmp \
   LIBDIR=/mnt/c/Users/Lenard/cp2k-9.1.0/lib/local_cuda/psmp/exts/dbcsr \
   OBJDIR=/mnt/c/Users/Lenard/cp2k-9.1.0/obj/local_cuda/psmp/exts/dbcsr \
   USE_ACCEL="cuda" \
   ACC="nvcc" \
   ACCFLAGS="-g -arch sm_70 -O3 -allow-unsupported-compiler -Xcompiler='-fopenmp -Wall -Wextra -Werror' --std=c++11 -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -Xcompiler='-Wno-error'"
Removing stale archives for psmp ...
Resolving dependencies for psmp ...
Removing stale archives ...
Resolving dependencies ...
/usr/bin/env python3 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90
cd /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/libsmm_acc; /usr/bin/env python3 generate_parameters.py --gpu_version=V100
cd /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/libsmm_acc; /usr/bin/env python3 generate_kernels.py
nvcc -c -D__CUDA -DARCH_NUMBER=70 -std=c++14 -g -arch sm_70 -O3 -allow-unsupported-compiler -Xcompiler='-fopenmp -Wall -Wextra -Werror' --std=c++11 -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -Xcompiler='-Wno-error' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/cuda/acc_cuda.cpp
/usr/bin/env python3 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/utils/dbcsr_btree.F dbcsr_btree.F90
/usr/bin/env python3 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/hip/dbcsr_hip_profiling.F dbcsr_hip_profiling.F90
/usr/bin/env python3 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/mm/dbcsr_mm_types.F dbcsr_mm_types.F90
nvcc warning : incompatible redefinition for option 'std', the last value of this option was used
nvcc -c -D__CUDA -DARCH_NUMBER=70 -std=c++14 -g -arch sm_70 -O3 -allow-unsupported-compiler -Xcompiler='-fopenmp -Wall -Wextra -Werror' --std=c++11 -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -Xcompiler='-Wno-error' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' -x cu /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/cuda_hip/calculate_norms.cpp/usr/local/openmpi/bin/mpicc -cc= -c -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops  -fopenmp -I/usr/local/openmpi/include   -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include'    -std=c11 -Wall -D__OFFLOAD_CUDA -D__DBCSR_ACC  -D__CUSOLVERMP -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT  -D__OFFLOAD_GEMM  -D__SPLA   -I/usr/local/cuda-12.5/include /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/opencl/acc_opencl.c
/usr/local/openmpi/bin/mpicc -cc= -c -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops  -fopenmp -I/usr/local/openmpi/include   -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include'    -std=c11 -Wall -D__OFFLOAD_CUDA -D__DBCSR_ACC  -D__CUSOLVERMP -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT  -D__OFFLOAD_GEMM  -D__SPLA   -I/usr/local/cuda-12.5/include /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/opencl/acc_opencl_event.c
/usr/local/openmpi/bin/mpicc -cc= -c -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops  -fopenmp -I/usr/local/openmpi/include   -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include'    -std=c11 -Wall -D__OFFLOAD_CUDA -D__DBCSR_ACC  -D__CUSOLVERMP -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT  -D__OFFLOAD_GEMM  -D__SPLA   -I/usr/local/cuda-12.5/include /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/opencl/acc_opencl_mem.c
/usr/local/openmpi/bin/mpicc -cc= -c -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops  -fopenmp -I/usr/local/openmpi/include   -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include'    -std=c11 -Wall -D__OFFLOAD_CUDA -D__DBCSR_ACC  -D__CUSOLVERMP -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT  -D__OFFLOAD_GEMM  -D__SPLA   -I/usr/local/cuda-12.5/include /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/opencl/acc_opencl_stream.c
nvcc warning : incompatible redefinition for option 'std', the last value of this option was used
/usr/local/openmpi/bin/mpifort -fc= -c -D__CUDA -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops -fopenmp -I/usr/local/openmpi/include -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include' -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/base/' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' dbcsr_kinds.F90
/usr/local/openmpi/bin/mpicc -cc= -c -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops  -fopenmp -I/usr/local/openmpi/include   -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include'    -std=c11 -Wall -D__OFFLOAD_CUDA -D__DBCSR_ACC  -D__CUSOLVERMP -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT  -D__OFFLOAD_GEMM  -D__SPLA   -I/usr/local/cuda-12.5/include /mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/opencl/smm/opencl_libsmm.c
Found 7 kernel files:
<- kernels/smm_acc_common.h
<- kernels/smm_acc_dnt_largeDB1.h
<- kernels/smm_acc_dnt_largeDB2.h
<- kernels/smm_acc_dnt_medium.h
<- kernels/smm_acc_dnt_small.h
<- kernels/smm_acc_dnt_tiny.h
<- kernels/smm_acc_transpose.h
Re-write kernels as strings...
Wrote kernel string to file
-> smm_acc_kernels.h
/usr/local/openmpi/bin/mpifort -fc= -c -D__CUDA -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops -fopenmp -I/usr/local/openmpi/include -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include' -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free -D__SHORT_FILE__="\"dbcsr_hip_profiling.F\"" -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/acc/hip/' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' dbcsr_hip_profiling.F90
/usr/local/openmpi/bin/mpifort -fc= -c -D__CUDA -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops -fopenmp -I/usr/local/openmpi/include -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include' -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/mm/' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' dbcsr_mm_types.F90
/usr/local/openmpi/bin/mpifort -fc= -c -D__CUDA -fPIC -fp-model=precise -g -march= -mtune= -qopenmp -traceback -O2 -funroll-loops -fopenmp -I/usr/local/openmpi/include -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/fftw-3.3.10/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxc-6.2.2/include' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/tools/toolchain/install/libxsmm-1.17/include' -D__OFFLOAD_CUDA -D__DBCSR_ACC -D__CUSOLVERMP -D__LIBXSMM -D__parallel -D__MPI_F08 -D__FFTW3 -D__LIBINT -D__LIBXC -D__SCALAPACK -D__COSMA -D__SPFFT -D__OFFLOAD_GEMM -D__SPLA -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src/utils/' -I'/mnt/c/Users/Lenard/cp2k-9.1.0/exts/dbcsr/src' dbcsr_btree.F90
gcc: error: missing argument to ‘-march=’
gcc: error: missing argument to ‘-mtune=’
gcc: error: unrecognized command-line option ‘-cc=’
gcc: error: missing argument to ‘-march=’
gcc: error: missing argument to ‘-mtune=’
gcc: error: unrecognized command-line option ‘-fp-model=precise’
gcc: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gcc: error: unrecognized command-line option ‘-traceback’
gcc: error: unrecognized command-line option ‘-cc=’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:273: acc_opencl.o] Error 1
make[4]: *** Waiting for unfinished jobs....
gcc: error: missing argument to ‘-march=’
gcc: error: missing argument to ‘-mtune=’
gcc: error: unrecognized command-line option ‘-fp-model=precise’
gcc: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gcc: error: missing argument to ‘-march=’
gcc: error: missing argument to ‘-mtune=’
gcc: error: unrecognized command-line option ‘-cc=’
gcc: error: unrecognized command-line option ‘-traceback’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:273: acc_opencl_event.o] Error 1
gcc: error: unrecognized command-line option ‘-fp-model=precise’
gcc: error: unrecognized command-line option ‘-cc=’
gcc: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gcc: error: unrecognized command-line option ‘-traceback’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:273: acc_opencl_mem.o] Error 1
gcc: error: unrecognized command-line option ‘-fp-model=precise’
gcc: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gcc: error: unrecognized command-line option ‘-traceback’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:273: acc_opencl_stream.o] Error 1
GPU version: V100
gcc: error: missing argument to ‘-march=’
gcc: error: missing argument to ‘-mtune=’
gcc: error: unrecognized command-line option ‘-cc=’
gcc: error: unrecognized command-line option ‘-fp-model=precise’
gcc: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gcc: error: unrecognized command-line option ‘-traceback’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:273: opencl_libsmm.o] Error 1
gfortran: error: missing argument to ‘-march=’
gfortran: error: missing argument to ‘-mtune=’
gfortran: error: unrecognized command-line option ‘-fc=’
gfortran: error: unrecognized command-line option ‘-fp-model=precise’
gfortran: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command-line option ‘-traceback’
gfortran: error: unrecognized command-line option ‘-fpp’; did you mean ‘-cpp’?
gfortran: error: unrecognized command-line option ‘-fpscomp’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:267: dbcsr_kinds.o] Error 1
gfortran: error: missing argument to ‘-march=’
gfortran: error: missing argument to ‘-mtune=’
gfortran: error: unrecognized command-line option ‘-fc=’
gfortran: error: unrecognized command-line option ‘-fp-model=precise’
gfortran: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command-line option ‘-traceback’
gfortran: error: unrecognized command-line option ‘-fpp’; did you mean ‘-cpp’?
gfortran: error: unrecognized command-line option ‘-fpscomp’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:267: dbcsr_hip_profiling.o] Error 1
gfortran: error: missing argument to ‘-march=’
gfortran: error: missing argument to ‘-mtune=’
gfortran: error: unrecognized command-line option ‘-fc=’
gfortran: error: unrecognized command-line option ‘-fp-model=precise’
gfortran: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command-line option ‘-traceback’
gfortran: error: unrecognized command-line option ‘-fpp’; did you mean ‘-cpp’?
gfortran: error: unrecognized command-line option ‘-fpscomp’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:267: dbcsr_mm_types.o] Error 1
gfortran: error: missing argument to ‘-march=’
gfortran: error: missing argument to ‘-mtune=’
About to process 74,092 kernels from file parameters/parameters_V100.json
GPU warp size: 32
Get parameters and write to file
gfortran: error: unrecognized command-line option ‘-fc=’
gfortran: error: unrecognized command-line option ‘-fp-model=precise’
gfortran: error: unrecognized command-line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command-line option ‘-traceback’
gfortran: error: unrecognized command-line option ‘-fpp’; did you mean ‘-cpp’?
gfortran: error: unrecognized command-line option ‘-fpscomp’
make[4]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr//Makefile:267: dbcsr_btree.o] Error 1
Found 74,092 kernels in file parameters/parameters_V100.json
Printing them to file parameters.h
make[3]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/build_dbcsr/Makefile:188: libdbcsr] Error 2
make[2]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/exts/Makefile.inc:38: dbcsr] Error 2
make[1]: *** [/mnt/c/Users/Lenard/cp2k-9.1.0/Makefile:128: psmp] Error 2
make: *** [Makefile:123: all] Error 2
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