Differences

This shows you the differences between two versions of the page.

--- software:gaussian:gaussian [2017-10-23 17:01] – created sraskar
+++ software:gaussian:gaussian [2023-06-27 10:40] – frey
@@ Line 1: / Line 1: @@
-====== Gaussian ======
-[[http://gaussian.com/products|Gaussian]] is a computer program for computational chemistry.
-To determine the available versions of Gaussian installed use
-<code>
-$ 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
-</code>
-**Details by cluster**
-  * [[software:gaussian:Farber]]
-===== 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''.
-<note tip>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.</note>