[gmx-users] mdrun on Beowulf cluster

[Yu Sun (Denis)]

At 07:14 PM 1/12/04 +0100, you wrote:
>On Mon, 2004-01-12 at 20:05, Yu Sun (Denis) wrote:
> > Dear Gmx-usrs,
> >
> > We want to run mdrun  (sequential verison) job on the specific node of our
> > cluster.
> > When I run mdrun as follows:
> >
> > mpprun -map 1 mdrun  <options ..>
> >
> > it gives me the following error msg:
> >
> >     error while loading shared libraries libmd.so.2
> >     cannot open shared object file: No such file or directory
> >
> > But when I run directly without mpprun
> > mdrun <options ...>
> > There are no problems.
>Is this also on the Beowulf node? Most likely your gromacs installation
>is not NFS mounted in the cluster, or you should source GMXRC or you
>should compile statically.

This is on the cluster head node. I can know it  by using beostatus



> >
> > For other programs, I can use mpprun  to assign job to specific node
> > without problem.
> >
> > Do you have any ideas?
> >
> > Thank you !
> >
> >
> >
> > Yu Sun  (Denis)
> > Postdoc
> > Department of Bioengineering
> > Clemson, SC 29631
> > Tel. (864)656-1352
> > email: yus at clemson.edu
> >
> > _______________________________________________
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>--
>David.
>________________________________________________________________________
>David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
>Dept. of Cell and Molecular Biology, Uppsala University.
>Husargatan 3, Box 596,          75124 Uppsala, Sweden
>phone:  46 18 471 4205          fax: 46 18 511 755
>spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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