[gmx-users] (no subject)

[Linus Östberg]

Use grompp normally, without the -np flag. Then run mdrun_mpi with your
normal parameters as mpirun -np x mdrun_mpi -deffnm xx

On Mon, Jun 21, 2010 at 2:00 PM, Amin Arabbagheri <amin_arab at yahoo.com>wrote:

> Hi all,
>
> I've installed GROMACS 4.0.7 and MPI libraries using ubuntu synaptic
> package manager.
> I want to run a simulation in parallel on a multi processor, single PC, but
> to compile via grompp, it doesn't accept -np flag, and also , using -np in
> mdrun, it still runs as a single job.
> Thanks a lot for any instruction.
>
> Bests,
> Amin
>
>
>
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