<div dir="ltr">Hi,<br> Thanks for your reply.<br>Do you have any idea of how to run commands using scheduler command "bsub"<br><br>With Thanx,<br>Vivek<br><div class="gmail_quote">2008/8/20 Kukol, Andreas <span dir="ltr"><<a href="mailto:a.kukol@herts.ac.uk">a.kukol@herts.ac.uk</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">mpirun -np <number of processors> mdrun various options... -np <number of processors><br>
<br>
(all in one line)<br>
<br>
>>>>><br>
From: <a href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a> [mailto:<a href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a>] On Behalf Of vivek sharma<br>
Sent: 20 August 2008 12:44<br>
To: Discussion list for GROMACS users<br>
Subject: [gmx-users] MDRUN with MPIRUN<br>
<div><div></div><div class="Wj3C7c"><br>
Hi There,<br>
I am trying to run the gromacs with mpirun, but don't know the exact commands for running gromacs with mpirun.<br>
If, somebody can give the exact command to run mdrun with MPI.<br>
It will be of great help for me to do my job.<br>
<br>
Thanks in advance,<br>
Vivek<br>
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