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.