Firefly (computer program): Difference between revisions

Revision as of 21:54, 2 May 2014

Revision as of 17:01, 3 May 2014

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'''Firefly''', formerly known as PC GAMESS, is an [[ab initio quantum chemistry methods|ab initio]] [[computational chemistry]] program for [[Intel]]-compatible [[x86]], [[x86-64]] [[Microprocessor|processor]]s based on [[GAMESS (US)]] sources. However, it has been substantially rewritten (about 60-70% of the code), especially in platform-specific parts ([[memory allocation]], disk [[Output|input-output]], [[computer network|network]]), [[mathematic]] functions (e.g., [[matrix operation]]s), and [[quantum chemistry|quantum chemical]] methods (such as [[Hartree&ndash;Fock]], [[Møller&ndash;Plesset perturbation theory]], and [[density functional theory]]). Therefore, it is significantly faster than the original GAMESS. The main maintainer of the program is Alex Granovsky. Since October 2008 the project is no longer associated with [[GAMESS (US)]] and the Firefly name was created. UntillUntil October 17, 2009 both names could be used but thereafter the package should be referred to as Firefly exclusively.<ref name="bare_url">[http://classic.chem.msu.su/gran/gamess/ PC GAMESSFirefly Home Page]</ref>

As of December 4, 2009, the support of any PC GAMESS versions earlier than the first PC GAMESS/Firefly version 7.1.C is being abandoned (and any and all licenses to use the code are revoked). Therefore, users of the outdated PC GAMESS binaries (version 7.1.B and all earlier releases) are required to discontinue their use of the PC GAMESS and upgrade to Firefly.<ref name="bare_url" />

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==External links==

* [http://www.meteo.mcgillredandr.ca/andrew/bench/ PC GAMESS SCF Benchmark]

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