Gaussian 16 Installation
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2022-07-20
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UNIX Binary Gaussian 16 Installation instructions
1. Check that you have the correct versions of the OS, and libraries for your machine, as listed in the file
platfo rm_rev.pdf on the CD (where rev represents the revision of the program; replace with the revision
you actually use). The latest version of this file is always available on our website at:
gaussian.com/g16/g16_plat.pdf.
2. Select a group which will own the Gaussian files. Users who will run Gaussian should either already be in
this group, or should have this added to their list of groups. Consult your system administrator if you need
help with this process.
3. Mount the DVD, or determine where the system has mounted it automatically.
4. Change to the C shell, and set the g16root and mntpnt environment variables:
$ /bin/csh
% setenv mntpnt "/mnt/dvd" # Set to wherever CD is mounted.
% setenv g16root "dir" # Set to install location for G16.
% cd $g16root
5. Read the DVD and run the script which sets group ownership. Check for the type of the tar file on the DVD
(ls $mntpnt/tar). Then run the appropriate tar command:
# .tbJ file # .tbz file
% tar xvfJ $mntpnt/tar/*.tbJ $ tar xvfj %mntpnt/tar/*.tbz
Then do the following:
% chgrp -R grp g16 # grp=group from step 2.
% cd g16
% ./bsd/install
6. You are now ready to run. Users will want to add the following to their .login or .bash_profile file:
# .login commands # .bash_profile commands
setenv g16root "dir" g16root="dir"
setenv GAUSS_SCRDIR "sdir" GAUSS_SCRDIR="sdir"
source $g16root/g16/bsd/g16.login 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.
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