[577] in Software_Announce
Gaussian 03, Gaussview 3.0 installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Mon Jan 12 18:16:55 2004
To: software-announce@mit.edu
cc: alexp@mit.edu, madrigal@mit.edu, whgreen@mit.edu, rutledge@mit.edu,
trout@mit.edu, marzari@mit.edu, damians@mit.edu, xilin@mit.edu, een@mit.edu,
tbarder@mit.edu, idhills@mit.edu, rempel@mit.edu
Date: Mon, 12 Jan 2004 18:16:04 -0500
From: Alex T Prengel <alexp@MIT.EDU>
I've installed Gaussian 03 and Gaussview 3.0 on Athena for Sun and Linux
machines. Gaussian is a computational molecular chemistry application;
Gaussview is a molecular model viewer that can display Gaussian output. To
run them, type:
setup gaussian
at the Athena prompt- then, in the window that opens.
g03 <file.com
to run Gaussian from a command file file.com
gv &
to launch Gaussview
I set /var/tmp for temporary files and you may need a lot of free
space there for complex computations. File
/mit/gaussian_v03-B05/distrib/share/tests/runtests can be used to run tests;
comments in the script explain how it's used. You will need to copy the
directory tree /mit/gaussian_v03-B05/distrib/share/tests to a location
where you have write permission to run the tests.
Installation and configuration problems can be reported directly to me.
Alex
