Search Mailing List Archives

Limit search to: Subject & Body Subject Author
Sort by: Reverse Sort
Limit to: All This Week Last Week This Month Last Month
Select Date Range     through    

[farmshare-discuss] setting gaussian environment variables on Rice

Stephen Walch swalch at
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


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
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

More information about the farmshare-discuss mailing list