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Article ID: 1206 - Last Modified:

How do I get Jaguar to work with a batch queue?

Schrödinger software distributions provide native support for several common queueing systems, such as PBS, LSF, and SGE. Support for other queue software can also be added. See the Installation Guide or the Job Control Guide for more information.

Queueing software can be configured to impose limits on jobs. Possible limits include the number of CPUs per job, the amount of memory per CPU, the total memory per job, and the total time per job. If you find that your Jaguar jobs are being killed and you see errors such as:

run_job_command[10]: 280032 Alarm call


** Stopping job in response to user HALT signal **

then most likely the queue software is killing the job because it exceeded some preset limit. Also, when running parallel jobs, be aware that Jaguar makes multiple calls to MPI per job. Ensure that your queue configuration allows this.

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