Software at OSC |
GAMESSIntroductionThe General Atomic and Molecular Electronic Structure System (GAMESS) is a flexible ab initio electronic structure program. Its latest version can perform general valence bond, multiconfiguration self-consistent field, Möller-Plesset, coupled-cluster, and configuration interaction calculations. Geometry optimizations, vibrational frequencies, thermodynamic properties, and solution modeling are available. It performs well on open shell and excited state systems and can model relativistic effects. The GAMESS Home Page has additional information. AvailabilityGAMESS is available on the Glenn Cluster. VersionThe versions currently available are 12 JAN 2009 (R3) [default] and 24 MAR 2007 (R3). UsageUsers are not required to complete a license agreement. Location The root of the GAMESS directory tree is /usr/local/gamess/ Execution GAMESS usage is controlled via modules. Load one of the GAMESS modulefiles at the command line, in your shell initialization script, or in your batch scripts, for example: module load gamess Examples
DocumentationGeneral documentation is available from the GAMESS Home page and in the local machine directories.
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