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Setting up Environment and Invoking – Invoking GaussView on a Research Server via Windows

Note: You must be a “tcsh” or “csh” user to benefit from the full functionality of this package.

Before accessing GaussView from Windows machines, the following steps should be done. If you have already setup for GaussView using the “module” command, skip step 3. If you are not sure, use step 4 to confirm after login. If you have accessed the cluster previously been setup for use, skip step 1.

1. Log into the computing cluster with X11 forwarding turned on

2. At the prompt, type the following command. Skip this step if you have done it before.

module add Gaussian
module save

module modifies the shell script in the home directory. The PATH to access GaussView and all necessary environment variables are set up properly.

3. To check if your startup scripts have been setup for GaussView, type the following command at the prompt.

module list

A line “gaussian” is shown which indicates that the environment for GaussView is already set.

4. After the PATH and environment variables for GaussView are set up properly, GaussView can then be accessed. At the Linux machine prompt, type the following SLURM command to invoke the software. The “interact” queue will allow the program to run in interactive mode for 24 hours.

sbatch -p interact  -N 1 -n 1 --mem=4g --x11=first gview

Additional Help

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