GAMESS(v2020.2) is available at SQUID.


Basic use

GAMESS commands can be used by reading the environment setting file with the following command.

$ module load BaseApp
$ module load GAMESS/v2020.2


Please execute by batch job. An example job script is as follows.


In this job script, 24 processes (12 processes per node) are executed in parallel. The argument of the "rungms" command is as follows.

input.inp File name of the input file.
00 The version of GAMESS. Fix with "00".
24 Total number of parallel processes. In this case, 24 processes are executed in parallel.
12 The number of processes per node. In this case, there are 12 parallel processes per node.


"#PBS -v SCR=" and "#PBS -v USERSCR=" specify the output destination of the scratch file that is output during the calculation. If omitted, the output is shown below.

/sqfs/work/[group name]/[user name]/scr


Please see below for other options for job scripts and how to submit job scripts.
jobscript options submit a jobscript