[gmx-users] mpi mdrun

Jussi Lehtola jussi.lehtola at helsinki.fi
Thu Jun 18 19:09:51 CEST 2009

On Thu, 2009-06-18 at 10:03 -0700, jayant james wrote:
> Hi!
> Thanks for your reply. So I suppose I need to have a hostfile in my
> directory and call it during the mpirun command.  I have one
> clarification, since I am using a quad core how am I to list the
> processors on the host file? would it need to open a file name \d
> hostfile and have a list for example like some thing below? 

If you're using openmpi on a quad core computer you just need to

$ mpirun -np 4 mdrun_mpi (options)
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi

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