May 5, 1999

PC Gamess ftp site and www page at IOWA

New PC GAMESS version 5.2

As compared to the previous public PC GAMESS version 5.1, the main new features are as follows:

• It is now possible to run the PC GAMESS under Linux;

• New RHF MP4(SDTQ) (i.e., full MP4) energy module is added. It seems that the PC GAMESS implementation of MP3/MP4 energies is the fastest among those currently available on Intel platform, see for details;

• The SMP scaling properties of MP3/MP4 calculations are improved considerably;

• The speed of MP2 gradient calculations for non-abelian symmetry groups is increased;

• The speed of Conjugated Gradient solver (used mainly during calculations of analytical second derivatives) is improved significantly;

• The Finite field module is changed to avoid reevaluations of 2-e integrals if possible;

• The ECP integrals module is rewritten to avoid numerical instability problems.

19 May 2000

New public release of the PC GAMESS, version 6.0, which is based on the newer official GAMESS sources.

There are multiple enhancements, functional extensions, and performance improvements incorporated into this latest PC GAMESS distribution as compared with previous public PC GAMESS version 5.4.

A few examples of the new features are as follows:

• We offer the full set of Pentium/Pentium Pro/Pentium II/Pentium III- optimized native Linux SMP-aware PC GAMESS ELF binaries as a part of the PC GAMESS distribution.

• New Pentium Pro/Pentium II/Pentium III-optimized OS/2-based SMP & JFS - aware binaries are now available.

• Large files are supported via transparent file splitting on all 32-bit file systems imposing 2 or 4 GB limit on the maximum file size.

For further information, see the URLs: http://classic.chem.msu.su/gran/gamess/index.html
http://quantum-2.chem.msu.ru/gran/gamess/index.html

22 Dec 2001

The new WWW interface to the PC GAMESS program is available at http://lcc.chem.msu.ru/webgamess/