[gmx-users] mdrun on Beowulf cluster

[David]

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.

> 
> 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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