Gaussian 94 Installation Instructions for IRIX

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September 3, 2010

Gaussian 94 Installation Instructions for IRIX

Obtain Gaussian 94
Gaussian 94 is a commercial software product and must be purchased from Gaussian, Inc.

Create a tar file from the tape distribution if necessary
% su
# cd /download_dir
# tar xvof /dev/tape
# tar cvf g94.tar g94
# exit

Verify that the following packages have been installed on the IRIX workstation:

MIPSpro Fortran 77
MIPSpro C

Extract g94 files
% su # cd /usr/local
# tar xvof /download_dir/g94.tar
# chown -R root:sys g94

Compile g94
# /bin/csh
# setenv g94root /usr/local
# cd $g94root/g94
# bsd/install >& install.log
# bsd/bld94 >& bldg94.log (takes a while)

Change file permissions
# cd /usr/local/g94
# chmod -R o+r *

Isolate version of g94 with a symbolic link
# cd /usr/local
# mv g94 g94E2
# ln -s g94E2 g94 (or appropriate version)
# exit

Setup a user to run g94 and do a test run
% cd ~
% mkdir g94
% cd g94
% vi g94setup

i (to enter insert mode)
setenv g94root /usr/local
setenv GAUSS_SCRDIR /tmp
source $g94root/g94/bsd/g94.login
<Esc>:wq (to quit and save)

% source g94setup
% cp -p /usr/local/g94/tests/com/test001.com test001.com
% cp -p /usr/local/g94/tests/alpha-osf1/test001.log test001.log.alpha
% g94 < test001.com > test001.log.sgi
% tail test001.log.alpha
% tail test001.log.sgi

Optionally, setup g94 system policies such as max disk space
% su
# cd /usr/local/g94
# vi Default.Route

i (to enter insert mode)
-#- MaxDisk=512MB
<Esc>:wq (to quit and save)

# exit