Jobs using specific installed software
The FAQ (FAQ - Using third-party software) includes examples of how to best run certain software including:
Options to request compute resources:
Maximum wallclock time the job will need. Default is 1 hour. Walltime is specified in seconds or as
Maximum memory per node the job will need. Default depends on queue, normally 2GB for serial jobs and the full node for parallel jobs. Memory should be specified with units, eg
Number of nodes and number of processors per node required. Default is 1 node and 1 processor per node. The
:ppn=numcan be omitted, in which case (at NYU HPC) you will get full nodes. When using multiple nodes the job script will be executed on the first allocated node.
Submit to a specific queue. If not specified, Torque will choose a queue based on the resources requested.
A job submitted without requesting a specific queue or resources will go to the default serial queue (s48 on Mercer) with the default resource limits for that queue
Requesting the resources you need, as accurately as possible, allows your job to be started at the earliest opportunity as well as helping the system to schedule work efficiently to everyone's benefit.