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[farmshare-discuss] setting gaussian environment variables on Rice

Stephen Walch swalch at stanford.edu
Sat Dec 23 18:18:00 PST 2017


I have been using corn to run gview and cubman to visualize charge 
distributions. Since corn is no longer available I need

to run this on Rice.


The following is from the instructions for installing gaussian

     1.    You are now ready to run. Users will want to add the 
following to their .login or .bash_profile file: 

# .login commands setenv g16root "dir"

setenv GAUSS_SCRDIR "sdir"


source $g16root/g16/bsd/g16.login
# .bash_profile commands
g16root="dir"

GAUSS_SCRDIR="sdir"

export g16root GAUSS_SCRDIR
. $g16root/g16/bsd/g16.profile

The dir in the first command is the location of the g16 directory. For 
example, if the path to this directory is /usr/local/g16, then set 
g16root to /usr/local. The sdir in the second command is a directory to 
be used by default for Gaussian 16 scratch files. There should be plenty 
of disk space available at this location.

I believe the parameters on this machine should be

# .login commands
setenv g16root="farmshare/software/non-free/gaussian/G16-A.03"
setenv GAUSS_SCRDIR=“/tmp”
source $g16root/g16/bsd/g16.login

# .bash_profile commands
g16root="farmshare/software/non-free/gaussian/G16-A.03"
GAUSS_SCRDIR=“/tmp”
export g16root GAUSS_SCRDIR
. $g16root/g16/bsd/g16.profile

What I don't know is what file I should put these lines into e.g .login, 
.bash_profile, etc.

Anybody running g16 who can help.

Steve Walch





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