[gmx-users] MDRUN with MPIRUN
a.kukol at herts.ac.uk
Wed Aug 20 15:14:16 CEST 2008
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
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,
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