Gaussian 09 Installation

Steps for installation:

CD="/path/to/g09_cd"
MNTPNT="/mnt/g09_mntpnt"
mount $CD $MNTPNT       # mount the G09 distribution
export g09root="/opt/g09"
cd $g09root
gunzip -c $MNTPNT/tar/*.tgz | tar xvf -  # extract distribution
groupadd g09
chgrp -R g09 g09
gpasswd -a user g09    # add users allowed to use G09
cd g09
./bsd/install
export GAUSS_SCRDIR="/var/run/g09"  # temporary files directory
mkdir $GAUSS_SCRDIR
chgrp -R g09 $GAUSS_SCRDIR
chmod -R g+w $GAUSS_SCRDIR
source $g09root/g09/bsd/g09.login
  

Running tests: The user must have write permissions in $GAUSS_SCRDIR and in the tests directory.

cd $g09root/g09/tests/com
for test in *.com; do g09 $test; echo "for $test : $?"; done >> results
  

The file results will contain exit codes for each test (0 = OK, non-zero = failure). Check testN.log for details.

Environment variables: Add to /etc/bash/bashrc to make G09 available to all users:

g09root="/opt/g09"
GAUSS_SCRDIR="/var/run/g09"
GAUSS_EXEDIR="$g09root/g09"
PATH=$PATH:$GAUSS_EXEDIR
export g09root GAUSS_EXEDIR GAUSS_SCRDIR PATH
. $g09root/g09/bsd/g09.profile
  

Notes for virtual machines: Some tests require SSE4 instructions. To enable in KVM with libvirt, ensure host CPU supports SSE4 and add:

<cpu>
      <model>qemu64</model>
      <feature name="sse4.1" policy="require"/>
</cpu>
  

More details can be found here.