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Gaussian
Gaussian is a computer program for computational chemistry.
To determine the available versions of Gaussian installed use
$ vpkg_versions gaussian Available versions in package (* = default version): [/opt/shared/valet/etc/gaussian.vpkg] gaussian Gaussian - Quantum Chemistry * g09 alias to gaussian/g09d01 g09d01 '09, Revision D01
Details by cluster
Batch job
Templates for Grid Engine queue submission scripts are available for batch Gaussian jobs in /opt/templates/gridengine/gaussian. Copy and edit the template based on your job by following the usage described in g09.qs.
It is a good idea to periodically check in
/opt/templates/gridengine/gaussian on a specific cluster for changes in existing templates, or the addition of new templates, designed to provide the best performance for a particular version of Gaussian on that cluster.