Gaussian

Summary

This article covers the login file entries needed in order to run Gaussian.

Body

In order to run Gaussian, users should add one of the following to their login file, depending on the shell being used:

bash users:

~/.bash_profile:

    g16root="/opt/gaussian"
    GAUSS_SCRDIR="/local/$USER"
    export g16root GAUSS_SCRDIR
    . $g16root/g16/bsd/g16.profile

tcsh users:

~/.login:

    setenv g16root "/opt/gaussian"              
    setenv GAUSS_SCRDIR "/local/$USER"
    source $g16root/g16/bsd/g16.login     # sets up G16 run environment.

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Details

Details

Article ID: 412
Created
Wed 11/30/22 1:15 PM
Modified
Thu 12/15/22 1:39 PM

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