GAMESS
Created Wednesday 24 August 2016
ALCF Official documentation
https://www.alcf.anl.gov/user-guides/gamess
Official source
http://www.msg.chem.iastate.edu/gamess/
FMO Portal (tutorials, input helper)
https://fmo.alcf.anl.gov/
Source code & Binaries
https://www.alcf.anl.gov/user-guides/gamess
Source to build GAMESS in BG/Q
http://www.alcf.anl.gov/files/Gamess-bgq.tgz
Running
For general questions concerning how to run in ALCF computers see:
Guides for ALCF
Copy /home/avazquez/public/gamess/gmsbgq and edit to add the name of your project that will be charged.
To use gmsbgq:
$>./gmsbgq [job name] [nodes] [minutes] [mode]
"mode" means number of MPI instances per node, the modes available are: c1, c2, c4, c8, c16 ;
Backlinks: Software:Chemistry