[gmx-users] parallel gromacs

Shawn T. Brown stbrown at psc.edu
Tue Apr 25 19:17:50 CEST 2006

This should be entirely possible with MPI.  Depending on which MPI
implementation you are using, you would define your machine pool to be 4
instances of the same machine.  The documentation for both LAM and MPICH
provide documentation on how to do this as a default configuration.


Pittsburgh Supercomputing Center
Senior Scientific Support Specialist
stbrown at psc.edu
Carnegie Mellon University
Pittsburgh Supercomputing Center
Rm #369
Pittsburgh, PA 15213
tel: 412-268-4635

-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of bruning at mpghdb.desy.de
Sent: Tuesday, April 25, 2006 10:55 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] parallel gromacs


i would like to run gromacs in parallel on a single pc with 4 processors. as

far as i understand it, this is not possible using mpi. is that correct? and

if so, what do i have to use instead?

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