[gmx-users] Regarding Gromacs Application in more than 10 node cluster

Mark Abraham mark.abraham at anu.edu.au
Fri Mar 11 05:10:28 CET 2011

On 11/03/11, Kannan Govindarajan  <kannan.gridlab at gmail.com> wrote:
> Hi,
> I am trying to running the Gromacs application in more than 10 node beowulf cluster if i run the gromacs application in 5 node cluster it is not
> showing any error. If i increase the number of nodes it throws the communication error in mpich and program ends abruptly. Is it possible to run the gromacs application in more than 10 node cluster.

Yes. (Do be sure that MPICH is crashing GROMACS, not GROMACS crashing and provoking an MPICH message. See end of GROMACS .log, stdout and stderr.) Some versions of MPICH have known problems. I would install and recompile GROMACS with latest OpenMPI as my first move.

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