[gmx-users] more- mdrun on Beowulf cluster

[Yu Sun (Denis)]

I recompile and install the gromacs on my home directory. And type
mpprun -map 4 mdrun <options...>

this time it gives error:
    error while loading shared libraries: libXm.so.1


At 02:23 PM 1/12/04 -0500, you wrote:
>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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>
>
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