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

[Mark Abraham]

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.

Mark
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110311/93de836f/attachment.html>