Gaussian

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Gaussian performs semiempirical and ab initio molecular orbital (MO), density functional, and molecular mechanics calculations.

To use this program at MSI, please send a request to help@msi.umn.edu and ask to be added to the Gaussian group. To use Gaussian 09, you need to be a researcher at the Twin Cities campus.

MSI is in the process of deprecating some older, unused versions of Gaussian. Below is a list of modules that are slated for removal, and for each, a corresponding supported module. If you are using one of the deprecated modules, please transition to the listed supported module.

 

Deprecated Module Supported Module
gaussian/g09.c01 gaussian (gaussian/g09.d01 default)
g09.a02 gaussian (gaussian/g09.d01 default)
g09.c01_orig gaussian (gaussian/g09.d01 default)
g09.a02.mngsm2011 g09.a02.mngsm2011.mngfm51

 

 

 

SW Documentation: 

To run this software interactively in a Linux environment run the commands:

module load gaussian/g03
qg03 [options] input_file

For a list of options use the command:

qg03 -h

To load and start Gaussian 09 use the commands:

module load gaussian
qg09 [options] input_file

For a list of options use the command:

qg09 -h

If you encounter the error: "qg09: Command not found.", or something similar, you are probably not part of the Gaussian or Gaussian09 Group.  Please contact help@msi.umn.edu with a request to be added.

When submitting your job script ensure that the amount of memory you request in your Gaussian script, "%mem", is less than the amount of memory you request in your PBS script, "#PBS -l mem=".

Additional information

For additional information see: http://www.gaussian.com

Short Name: 
gaussian
SW Module: 
gaussian
Service Level: 
Primary
License Limits
Access Limitations: 
This software is available to select accounts on request.
Limited Access Requirements: 
Users must be on the Gaussian users list. Send a request to help@msi.umn.edu and ask to be added to the list.
SW Category