GAMESS¶

The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package. Please see the GAMESS home page and official documentation for more information.

Using GAMESS at NERSC¶

GAMESS is provided on Cori via the gamess module. Users should invoke GAMESS using the rungms script which is added to the user's $PATH after loading a gamess module. The syntax for the rungms script is:

rungms <input file> 00 <number of processes>

The directory $GAMESS_DIR/hsw/tests/standard includes a large number of example inputs files that are included with the GAMESS installation.