[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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