A parallelization technique for the speedup of configuration interaction computing

  • Authors:

  • Nobumitsu Honjou;Kazumasa Ohtsuki;Masahiro Sekiya;Fukashi Sasaki

  • Affiliations:

  • IBM Japan Ltd., 18-24-7 Tsukiji, Tokyo 104, Japan;Department of Chemistry, Hokkaido University, Sapporo, 060, Japan;Department of Chemistry, Hokkaido University, Sapporo, 060, Japan;Department of Chemistry, Hokkaido University, Sapporo, 060, Japan

  • Venue:
  • Parallel Computing
  • Year:
  • 1991

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Abstract

In order to speed up configuration interaction (CI) computing by means of fork/join based parallel processing, we have considered a parallelization approach to high performance parallel processing, and adopted it to the energy expression computing of a practical CI program ATOMCI. It is proved from the performance evaluation on a tightly-coupled three-processor system that the parallel processing of CI computing is really effective, and our parallelization approach is appropriate to the speedup of CI computing.