[scyld-users] jaguar

Donald Becker 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
MPI implementation?

If it uses BeoMPI, you may use all CPUs (e.g. 2 processes per dual-SMP
node) with
  export ALL_CPUS=1
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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