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_a...@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 > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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