Gaussian installations at NSC


Directory list:

VersionDescription
G03RevE.01 Gaussian 03 Rev. E.01
G09RevA.02 Gaussian 09 Rev. A.02
G09RevB.01 Gaussian 09 Rev. B.01
G09RevC.01 Gaussian 09 Rev. C.01
G09RevD.01 Gaussian 09 Rev. D.01

Level of support

Tier 1 NSC has at least one application expert on staff with knowledge about this software, and we will try to help you with any problems. We have also ran some internal tests to make sure that the program is working as intended. NSC also commits to installing updates to this program as they become available.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

The Gaussian installations are generally maintained by Johan Raber (raber@nsc.liu.se) and Torben Rasmussen (torbenr@nsc.liu.se).

Official homepage: www.gaussian.com

Gaussian is a versatile program for electronic structure modelling. For an overview of the various features available in Gaussian, please see www.gaussian.com/g_prod/g09_glance.htm

The Gaussian user guide is available online at www.gaussian.com/g_tech/g_ur/g09help.htm

NSC can help you with how to run your Gaussian jobs and to some extend help you with how to set up your Gaussian jobs. We can, for example, help with setting up scripts for running your jobs and help with trouble shooting if you experience issues with running your jobs. If you suspect that you have found a bug in Gaussian, then please contact NSC, so we can investigate and submit a bug report to Gaussian, Inc.

Please contact NSC Support if you have any questions or problems.

Known problems

  • Allocating too much of the physical memory can cause issues. Always leave a few GB memory free. For example, on Triolith most compute nodes have 32 GB memory and the default memory allocation for Gaussian is set to 25 GB. You can probably allocate more than 25 GB, but you should not allocate 32 GB of memory on normal Triolith nodes. Please also note that memory allocation in Gaussian is per Linda worker, so if you run more than one Linda worker per compute node, you should take this into account when allocating memory!