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.