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Tips for Running Gaussian09 on Lightning or Spirit

Note: the following tips do not apply to Predator, since it is a shared-memory system.

When setting the shared memory size on each node with %mem = xxxx, the maximum value should not be over 24 GBytes. Otherwise the job may abort.

If more than 1500 MBytes of memory is needed per core, reduce the number of cores used on each node. For example, the following command:

%mem=24GB %nprocs=4 %nprocl=4 will run a job on 16 cores across 4 nodes with 6 GBytes of memory per core on Spirit.

Gaussian utility programs like chkchk, formchk, cubegen, etc., are available on Spirit and Lightning.