Middlebury

Difference between revisions of "Gaussian"

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~/.bash_profile:
 
~/.bash_profile:
 
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<blockquote>
&nbsp;&nbsp;&nbsp; g16root="/opt/gaussian"<br/> &nbsp;&nbsp;&nbsp; GAUSS_SCRDIR="/local/''<username>''"<br/> &nbsp;&nbsp;&nbsp; export g16root GAUSS_SCRDIR<br/> &nbsp;&nbsp;&nbsp; . $g16root/g16/bsd/g16.profile
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&nbsp;&nbsp;&nbsp; g16root="/opt/gaussian"<br/> &nbsp;&nbsp;&nbsp; GAUSS_SCRDIR="/local/$USER"<br/> &nbsp;&nbsp;&nbsp; export g16root GAUSS_SCRDIR<br/> &nbsp;&nbsp;&nbsp; . $g16root/g16/bsd/g16.profile
 
+
</blockquote>
 
==== tcsh users: ====
 
==== tcsh users: ====
  
 
~/.login:
 
~/.login:
 
+
<blockquote>
&nbsp;&nbsp;&nbsp; setenv g16root "/opt/gaussian"&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;<br/> &nbsp;&nbsp;&nbsp; setenv GAUSS_SCRDIR "/local/''<username>''"<br/> &nbsp;&nbsp;&nbsp; source $g16root/g16/bsd/g16.login&nbsp;&nbsp;&nbsp;&nbsp; # sets up G16 run environment.
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&nbsp;&nbsp;&nbsp; setenv g16root "/opt/gaussian"&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;<br/> &nbsp;&nbsp;&nbsp; setenv GAUSS_SCRDIR "/local/$USER"<br/> &nbsp;&nbsp;&nbsp; source $g16root/g16/bsd/g16.login&nbsp;&nbsp;&nbsp;&nbsp; # sets up G16 run environment.
 
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</blockquote>
&nbsp;&nbsp;&nbsp; (Do not include the angle brackets in ''<username>''.)
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&nbsp;
  
 
Return to [[High_Performance_Computing_(HPC)|High Performance Computing (HPC)]]
 
Return to [[High_Performance_Computing_(HPC)|High Performance Computing (HPC)]]

Revision as of 09:37, 2 August 2021

Users should add the following to their login file:

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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