Usage

Warning

Please note that Gaussian is restricted software. Please see the Gaussian Licensing documentation for the Gaussian Licensing procedure at UF.

See https://gaussian.com/gpu/ for information on using GPU(s) with Gaussian and GPU Access for information on how to set up a SLURM session with GPU(s).

There are two mechanisms by which you can submit Gaussian Jobs:

  1. Command-line batch Job Submission: See our SLURM Help Page for more information. You can also see an example job script in the following section.
  2. Galaxy Framework: See our Galaxy Help Page for information on accessing Galaxy.

Please note that our version of Gaussian only supports shared-memory parallelism. This means that if you want to use more than one processor for a Gaussian job, you are limited to the number of processors in a single machine. You cannot run Gaussian across multiple machines on the Research Computing cluster.

This requires a resource request of the following form where N is constrained by the number of "cores" (i.e. processors) in a single machine. Most of the hipergator nodes have 32 cores per node.

#SBATCH --nodes=1
#SBATCH --ntasks=1
#SBATCH --cpus-per-task=N