GROMACS version:2022.2
GROMACS modification: Yes/No
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Hi everybody.
I have some troubles compiling Gromacs with CP2K. I have the following error:
gromacs-2022.2/src/gromacs/applied_forces/qmmm/qmmmforceprovider.cpp:56:10: fatal error: libcp2k.h: file not found
56 | #include <libcp2k.h>
| ^~~~~~~~~~~
Can you help me to solve this? I don know what i can more to do. I try this command:
cmake … -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-11.7 -DCMAKE_INSTALL_PREFIX=/opt/gromacs -DGMX_CP2K=ON -DCP2K_DIR=“/opt/cp2k/lib/local/” -DCP2K_LINKER_FLAGS=“local.psmp \ /opt/cp2k/src/start/”
But this doesn’t work.
Thanks for your help