GAMESS-US / Firefly (PC GAMESS)
Alex A. Granovsky, Lomonosov State University, Moscow, has developed Firefly(PC GAMESS) which runs under Windows or Linux/Unix and is a highly optimized and debugged program. A new version is 8.2.0 (2016). It is available as executable, binary, code for several CPU types. All versions are able to make use of nodes with multiple processors or in a cluster. Firefly offers higher order Møller-Plesset methods MP3 to MP4(full) = MP4SDTQ. These run between 5 to more than 20 times faster than the same methods with Gaussian03 (and identical results) on the same machine! A special benefit is an excellent DFT engine in PC Gamess.
Brett Bode, also from Ameslab, has created MacGamess which runs on PowerMacs, even on an iMac, or Intel-Macs. His MacMolPlt is an excellent free graphics program for the visualization of quantumchemical results. It now runs on Windows versions, too.
You find a description of the capabilities of Gamess versions here. Versions after 1999 offer Density Functional methods which have especially been accelerated in newer PC Gamess versions from 6.4.
Gamess comes with an excellent manual in postscript/pdf form and contains about 48 commented test samples which show input and output.
Gamess-US versions mentioned above can be obtained from GAMESS-US after registering. For Firefly(PC Gamess) you have to register at Firefly.
Gamess is one of a few non commercial ab initio electronic structure systems which are delivered for the price of downloading! Furthermore it is constantly developed. New releases are published every year. I find the detailed composition of Gamess input of excellent didactical value. The user learns to think about what he wants the program to do and can fine tune its behavior in a transparent way for his intentions.
PC GAMESS and Gamess-US can be run by simple input/run scripts offered here under the names RUNpcg (Windows, formerly PCGam), RUNpcglin, pcglin, and Gameix (the last three under Linux). There are several other "meta"-Gamess GUI's to be easily found with Google.
The output of Gamess can be read by MOLDEN, Molekel, gOpenMol and other visualizers.
DownloadsYou can get the input/runscripts and concomitant files for
At startup of all the scripts a template for a configuration file pops up. Carefully edit this to reflect your computer setup and save it.
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