Data processing: structural design – modeling – simulation – and em – Simulating electronic device or electrical system – Computer or peripheral device
Reexamination Certificate
2008-03-11
2008-03-11
Rodriguez, Paul (Department: 2123)
Data processing: structural design, modeling, simulation, and em
Simulating electronic device or electrical system
Computer or peripheral device
Reexamination Certificate
active
07343277
ABSTRACT:
A parallel computing method by using a parallel computer having a plurality of processors is provided, wherein when a 2-electron integration is transformed from an atomic-orbital base (rs|tu) to a molecular-orbital base (ab|cd), indexes r and s of an atomic orbital to be calculated are designated for the plurality of processors and each of the plurality of processors performs processing for all combinations of designated indexes R and S, and indexes t and u of the atomic orbital to be calculated. Subsequently, the grain sizes are equalized, many commodity processors can be connected with high performance, and the cost of a high-speed operation computer reduces. Further, the computer can obtain a large main-memory area, as a whole, through the use of inexpensive local memories.
REFERENCES:
patent: 6026422 (2000-02-01), Yamada et al.
patent: 6631391 (2003-10-01), Inabata et al.
patent: 2003/0167159 (2003-09-01), Goddard et al.
patent: H09-50458 (1997-02-01), None
Hashimoto et a., MOE: A Special-Purpose Parallel Computer for High-Speed, Large-Scale Molecular Orbital Calculation, Nov. 13-18, 1999, Supercomputing, ACM/IEEE 1999 conference, pp. 58-58.
Satoru Shirakawa et al., “The Architecture of a Molecular Orbital Calculation Engine (MOE)”, Information Processing Society of Japan Kenkyu Hokoku, May 16, 1996, vol. 96, No. 39, pp. 45-50.
Adrian T. Wong et al., “Parallel Direct Four-Index Transformations”, Theoretica Chimica Acta, Jun. 1996, vol. 93, No. 6, pp. 317-331.
Kazuto Nakata et al., “A parallel Algorithm for Generating Two Electron Integrals Over MO Basis Sets”, Information Processing Society of Japan Symposium Ronbun, Jan. 22, 2002, vol. 2002, No. 4, pp. 35-42.
Yukio Hirahara et al., Hikeikenteki Bunshi Kidoho Program (AMOSS) no Heiretsuka, Information Processing Society of Japan Kenkyu Hokoku, Mar. 9, 1995, vol. 95, No. 28, pp. 41-48.
Kazuto Nakata et al., Heiretsu CASSCF Program No Kaihatsu, Bunshi Kozo Sogo Toronkai Koen Yoshishu, Sep. 24, 2001, vol. 2001, p. 764.
Murase Tadashi
Nakata Kazuto
Sakuma Toshihiro
Takada Toshikazu
Japan Science and Technology Agency
Kim Eunhee
NEC Corporation
Rodriguez Paul
Sughrue & Mion, PLLC
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