Minnesota Supercomputing Institute
g09.c01.MNGFM6.8, g09.e01, g16.b01, g16.a03, g03, mngfm, g03.e01, g09.a02, g09.a02.mngfm50, g09.a02.mngfm52, g09.a02.nbo5, g09.c01, g09.c01.MNGFM6.7.itasca, g09.c01.mngfm64, g09.c01_orig, g09.d01, g09.d01_itasca, g09.e01, g09.e01_itasca, mngfm41_pgi, g09.d01, g16.a03
Friday, September 7, 2018
Thursday, April 20, 2017
g09.c01, g09.d01, g09.d01, g16.a03
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 email@example.com 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.
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:
To load and start Gaussian 09 use the commands:
module load gaussian
qg09 [options] input_file
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 firstname.lastname@example.org 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=".
For additional information see: http://www.gaussian.com