[gmx-users] mdrun on Beowulf cluster

[Yu Sun (Denis)]

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.

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