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GAMESS
General Information
Short Description: A general ab initio quantum chemistry package.
Category: Computational Chemistry
Installation Information
Version: Version Date: March 2007
Technical support: Please contact Research Services (researchservices@bc.edu)
Terms of Use:
License Information
Number of Licenses: Unlimited on the Linux Cluster.
Installed Sites: Linux Cluster.
Installed Platforms: Linux
Vendor/Developer: Mark Gordon, Iowa State University
Vendor Website: www.msg.ameslab.gov/gamess/gamess.html
Usage Information
Use the following file to use GAMESS with the queues. The rms command will determine the number of requested processors. Gamess can use processors within a node, or distributed between nodes.
#!/bin/tcsh
#PBS -l mem=4gb,nodes=2:ppn=4,walltime=75:00:00
module add gamess
cd directory-with-your-gamess-files
rms exam01
Documentation
For information about gamess, see www.msg.ameslab.gov/gamess/documentation.html