Title:
並列処理方法および並列処理装置
Document Type and Number:
Japanese Patent JP4159699
Kind Code:
B2
Abstract:
Matrix element calculation carried out efficiently without the overhead of communication between a host computer and processor elements even in parallel calculation utilizing a low-cost communication device and multiple processor elements having memories of a small capacity. In a method for calculating molecular orbitals, for example, all elements F(I, J) of a Fock matrix are calculated where an outermost loop is a loop associated with combinations (RT) of contracted shell R and contracted shell T which satisfy relationships R<=Nshell and T<=R. A second loop is a loop associated with contracted shell S, and a third loop is a loop associated with contracted shell U. Alternatively, the second loop is a loop associated with the contracted shell U, and the third loop is a loop associated with the contracted shell S. The value of S ranges from 1 to R, and the value of U ranges from 1 to R. Calculation of predetermined electron repulsion integrals and calculation of a predetermined part of Fock matrix elements utilizing the result of the calculation is carried out inside the third loop.
More Like This:
Inventors:
Satoshi Yamada
Inabata Shinjiro
Nobuaki Miyagawa
Takashima Ichi
Kitamura Kazuyasu
Shigeru Ohara
Inabata Shinjiro
Nobuaki Miyagawa
Takashima Ichi
Kitamura Kazuyasu
Shigeru Ohara
Application Number:
JP10553699A
Publication Date:
October 01, 2008
Filing Date:
April 13, 1999
Export Citation:
Assignee:
Taisho Pharmaceutical Co., Ltd.
Honda motor industry stock company
Honda motor industry stock company
International Classes:
G06F17/10; G06F17/12; G06F7/48; G06F9/45; G06F15/16; G06F15/177; G06F15/80; G06F17/00; G06F17/50; G06F19/00
Domestic Patent References:
| JP10228465A | ||||
| JP8241300A | ||||
| JP7168807A | ||||
| JP6236392A |
Attorney, Agent or Firm:
Masami Sato