[gmx-users] Running gromacs in parallel on multicore machine
mark.abraham at anu.edu.au
Tue Jun 1 23:18:16 CEST 2010
----- Original Message -----
From: Sikandar Mashayak <symashayak at gmail.com>
Date: Wednesday, June 2, 2010 7:17
Subject: [gmx-users] Running gromacs in parallel on multicore machine
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> I am wondering whether its possible to run gromacs in parallel on single processor machine with multiple cores?
> I have 8 core processor, when I run mdrun in serial I see only one of those is used at 100%. I am thinking, if possible, to use all cores approximately equally by running mdrun in parallel and hoping to get results faster.
> Any suggestions?
Compiling with MPI and running in parallel is your only current option. See GROMACS webpage.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users