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 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,
