You might want to ask your question to the Gromacs community -- they can
probably be more helpful than we can (we know little / nothing about Gromacs).
Good luck!
On Feb 11, 2021, at 10:46 AM, Wenhao Yao via users
mailto:users@lists.open-mpi.org>> wrote:
Thanks for helping me though it a qu
Thanks for helping me though it a question out of topic,
Could I know under which category should
I run the given command from your side. For example under OPENMPI's or any
of GROMACS...
Thanks for your attention, I appreciate any suggestions from your side.
This is not an Open MPI question, and hence not a fit for this mailing
list.
But here we go:
first, try
cmake -DGMX_MPI=ON ...
if it fails, try
cmake -DGMX_MPI=ON -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx .
..
Cheers,
Gilles
- Original Message -
Hi, MPI develope
Hi, MPI developers and users,
I want to run GROMACS using *gmx_mpi* rather than *gmx*, could
you give me a hand on how to do that?
Thanks a lot!
Cheers,
