[CP2K-user] [CP2K:19279] Gromacs 2023.2 + cp2k 2023.2 installation with CUDA
A K A
1si19bt002 at sit.ac.in
Wed Sep 27 12:59:20 UTC 2023
Dear all,
I was trying to install gromacs with cp2k on nvidia GPU. I installed the
psmp version of "local_cuda" cp2k. The cmake command I used is present in
the "cmake_comm" file attached below. After running "make" I get the error
that there is an undefined reference to mpi_*_f08_ as in "make_error"
file attached below.
I didnt face this issue when installing the local psmp version.
Thanks and Regards
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