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

Availability: Open access for all academic users


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.  Please submit a ticket if you'd like a WebMO account.