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На этой странице приведены все страницы, которые ссылаются на http://classic.chem.msu.su/gran/gamess/PC%20GAMESS%20Conroe%20performance.html. Показаны документы 1 - 1 из 1.
1. PC GAMESS vs. WinGamess performance comparison
... CPU time, seconds. Test 1, PC GAMESS . ... input , output ) . ... Test 1, WinGAMESS . ... Not enough memory to run test . ... The PC GAMESS performance does not depend on particular Operating System in use. ... Tests 1 and 3 demonstrate unknown bug (most likely, in ECP or 2-e integrals part) of WinGamess (and possible GAMESS (US) as well). ... Test 6 demonstrates bug in WinGamess/GAMESS (US) DIIS CPHF solver code resulting in completely wrong energy gradient . ...
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Ссылки http://classic.chem.msu.su/gran/gamess/pcgamess_vs_wingamess.html -- 29.9 Кб -- 19.06.2011
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