[gmx-users] (no subject)

Linus Östberg bioinf at talavis.eu
Mon Jun 21 14:07:54 CEST 2010

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
> --
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100621/ccd8a2ba/attachment.html>

More information about the gromacs.org_gmx-users mailing list