Middlebury

Difference between revisions of "Gaussian"

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&nbsp;&nbsp;&nbsp; (Do not include the angle brackets in ''<username>''.)
 
&nbsp;&nbsp;&nbsp; (Do not include the angle brackets in ''<username>''.)
  
Retrun to [[High_Performance_Computing_(HPC)|High Performance Computing (HPC)]]
+
Return to [[High_Performance_Computing_(HPC)|High Performance Computing (HPC)]]

Revision as of 10:07, 2 August 2021

Users should add the following to their login file:

bash users:

~/.bash_profile:

    g16root="/opt/gaussian"
    GAUSS_SCRDIR="/local/<username>"
    export g16root GAUSS_SCRDIR
    . $g16root/g16/bsd/g16.profile

tcsh users:

~/.login:

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

    (Do not include the angle brackets in <username>.)

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