PC GAMESS-Firefly
Description
The PC GAMESS/Firefly is a freely available ab initio and DFT computational chemistry program. PC GAMESS/Firefly shares lots of functionality with the GAMESS(US). All the functionality of October 25, 1999 release of GAMESS (US) is supported. Many additional features added to GAMESS (US) since 1999 are supported as well. PC GAMESS/Firefly extends functionality of the GAMESS(US) program by providing very fast Moller-Plesset second, third and fourth order correlation corrections based on the self-consistent electron pairs (SCEP) theory.
License
It is necessary to agree with a licence
Usage
Upcoming modulesystem change alert!
Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.
You can test the new version now by adding a line
source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules
to your script before loading a module. Then, you can list all versions of pcgamess and load default version of pcgamess as
module avail pcgamess/ # list available modules module load pcgamess # load (default) module
If you wish to keep up to the current system, it is still possible. Simply list all modules by
module avail pcgamess
and choose explicit version you want to use.
Documentation
Online version: http://classic.chem.msu.su/gran/gamess/index.html