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Setting up the Environment and Invoking GaussView on a Research Server via UNIX Desktop

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

Before accessing GaussView from UNIX machines, the following steps should be done. If the setup for GaussView with the “module” command (step 2) has been done before, skip steps 2 & 3. If you are not sure, use step 3 to confirm after login.

1. Log into the computing cluster with X11 forwarding turned on (-X ssh command option).
If this command does not allow you to correctly display GaussView, your machine may support the -Y option, which is not as secure as the -X option.
By using these commands for X11 forwarding, you do not need to worry about setting your DISPLAY environment variable.

2. At the Linux machine 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 submit a job that invokes the software.

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

Additional Help

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