Reaching Others University at Buffalo - The State University of New York
Skip to Content


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.