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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

8 Citations (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationSC 2000 - Proceedings of the 2000 ACM/IEEE Conference on Supercomputing
PublisherAssociation for Computing Machinery
ISBN (Electronic)0780398025
DOIs
Publication statusPublished - 2000
Externally publishedYes
Event2000 ACM/IEEE Conference on Supercomputing, SC 2000 - Dallas, United States
Duration: Nov 4 2000Nov 10 2000

Publication series

NameProceedings of the International Conference on Supercomputing
Volume2000-November

Conference

Conference2000 ACM/IEEE Conference on Supercomputing, SC 2000
Country/TerritoryUnited States
CityDallas
Period11/4/0011/10/00

All Science Journal Classification (ASJC) codes

  • Computer Science(all)

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