becker at scyld.com
Thu Mar 11 18:52:01 PST 2004
On Thu, 11 Mar 2004, ORKID COSKUNER wrote:
> My question is: we bought the program Jaguar which
> is good for some ab initio calculations. The program
> is already in paralell. mode and there is no need to
> install pbs or dqs as the technical support workers
> at the schroedinger company said.
Is it a MPI program?
If so, it is compiled with the Scyld BeoMPI, or pre-linked with another
If it uses BeoMPI, you may use all CPUs (e.g. 2 processes per dual-SMP
and just run the program as you would any other.
Otherwise you likely need to use 'mpprun' or 'mpirun', perhaps with
additional command-line parameter.
This is described in the Scyld Beowulf User Guide.
Additional details are in the Administrator Guide and the Programmers
> However, the program Jaguar does not run on our
> cluster biowulf scyld. The name of our
> admisnistrator is amit paliwali and may be you know
> him already. Could you please help us what we have
> to change in the batch que to get the jaguar run and
> this on 15 nodes?
Donald Becker becker at scyld.com
Scyld Computing Corporation http://www.scyld.com
914 Bay Ridge Road, Suite 220 Scyld Beowulf cluster systems
Annapolis MD 21403 410-990-9993
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