well I installed the mpi enabled mdrun and execute it with option -np 8, but still I see only core is being used at 100% instead of 8.
Is there additional settings to be done to correct this.? thanks sikandar On Tue, Jun 1, 2010 at 4:18 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > > > ----- Original Message ----- > From: Sikandar Mashayak <symasha...@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@gromacs.org> > > > Hi > > > > 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. > > Mark > -- > gmx-users mailing list gmx-users@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-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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