[gmx-users] MDRUN with MPIRUN

vivek sharma viveksharma.iitb at gmail.com
Wed Aug 20 15:56:37 CEST 2008

 Thanks for your reply.
Do you have any idea of how to run commands using scheduler command "bsub"

With Thanx,
2008/8/20 Kukol, Andreas <a.kukol at herts.ac.uk>

> mpirun -np <number of processors> mdrun  various options... -np <number of
> processors>
> (all in one line)
> >>>>>
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of vivek sharma
> Sent: 20 August 2008 12:44
> To: Discussion list for GROMACS users
> Subject: [gmx-users] MDRUN with MPIRUN
> Hi There,
> I am trying to run the gromacs with mpirun, but don't know the exact
> commands for running gromacs with mpirun.
> If, somebody can give the exact command to run mdrun with MPI.
> It will be of great help for me to do my job.
> Thanks in advance,
> Vivek
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