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GAMESS

GAMESS (General Atomic and Molecular Electronic Structure System) is an ab initio quantum chemistry package, distributed and maintained by the Gordon group at Iowa State University.

Category:  Chemistry

 

Usage Notes:

Show the software versions:  module avail gamess

Loading the module will set the path and any necessary variables:  module load gamess/version

The $GAMESS_DIR variable will be defined.

  • The GAMESS runscript:  $GAMESS_DIR/rungms
  • Documentation:  $GAMESS_DIR/.DOC*
  • Sample PBS script:  $GAMESS_DIR/pbsGAMESS

GAMESS is available through the WebMO portal.