ヤギ トオル   YAGI TORU
  八木 徹
   所属   メディアコミュニケーション学部 情報文化学科
   職種   准教授
言語種別 英語
発行・発表の年月 2010/04
形態種別 論文
査読 査読有り
標題 Parallel Fock Matrix Construction with Distributed Shared Memory Model for the FMO-MO Method
執筆形態 共著
掲載誌名 Journal of Computational Chemistry
出版社・発行元 JOHN WILEY & SONS INC
巻・号・頁 31(13),pp.2381-2388
著者・共著者 ◎Hiroaki Umeda, Yuichi Inadomi, Toshio Watanabe, Toru Yagi, Takayoshi Ishimoto, Tsutomu Ikegami, Hiroto Tadano, Tetsuya Sakurai, Umpei Nagashima
概要 A parallel Fock matrix construction program for FMO-MO method has been developed with the distributed shared memory model. To construct a large-sized Fock matrix during FMO-MO calculations, a distributed parallel algorithm was designed to make full use of local memory to reduce communication, and was implemented on the Global Array toolkit.