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.
Best,
On Thu, Feb 11, 2021 at 3:36 AM Gilles Gouaillardet via users <
users@lists.open-mpi.org> wrote:
> 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,
>
>
>
>
>
