1.34 TFLopS molecular dynamics simulation for NaCl with a special-purpose computer: MDM

Tetsu Narumi, Ryutaro Susukita, Takahiro Koishi, Kenji Yasuoka, Hideaki Furusawa, Atsushi Kawai, Toshikazu Ebisuzaki

研究成果: Conference contribution

8 被引用数 (Scopus)

抄録

We performed molecular dynamics (MD) simulation of 9 million pairs of NaCl ions with the Ewald summation and obtained a calculation speed of 1.34 Tflops. In this calculation we used a special-purpose computer, MDM, which we are developing for the calculations of the Coulomb and van der Waals forces. The MDM enabled us to perform large scale MD simulations without truncating the Coulomb force. It is composed of WINE-2, MDGRAPE-2 and a host computer. WINE-2 accelerates the calculation for wavenumber-space part of the Coulomb force, while MDGRAPE-2 accelerates the calculation for real-space part of the Coulomb and van der Waals forces. The host computer performs other calculations. We performed MD simulation with the early version of the MDM system: 45 Tflops of WINE-2 and 1 Tflops of MDGRAPE-2. The peak performance of the final MDM system will reach 75 Tflops in total by the end of the year 2000.

本文言語English
ホスト出版物のタイトルSC 2000 - Proceedings of the 2000 ACM/IEEE Conference on Supercomputing
出版社Association for Computing Machinery
ISBN(電子版)0780398025
DOI
出版ステータスPublished - 2000
イベント2000 ACM/IEEE Conference on Supercomputing, SC 2000 - Dallas, United States
継続期間: 2000 11 42000 11 10

出版物シリーズ

名前Proceedings of the International Conference on Supercomputing
2000-November

Conference

Conference2000 ACM/IEEE Conference on Supercomputing, SC 2000
国/地域United States
CityDallas
Period00/11/400/11/10

ASJC Scopus subject areas

  • コンピュータ サイエンス(全般)

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