NDLI: 1.34 Tflops Molecular Dynamics Simulation for NaCl with a Special-Purpose Computer: MDM

Content Provider	IEEE Xplore Digital Library
Author	Narumi, T. Susukita, R. Koishi, T. Yasuoka, K. Furusawa, H. Kawai, A. Ebisuzaki, T.
Copyright Year	2000
Description	Author affiliation: RIKEN (The Institute of Physical and Chemical Research) (Narumi, T.)
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.
Starting Page	54
Ending Page	54
File Size	2186594
Page Count	1
File Format	PDF
ISBN	0780398025
ISSN	10639535
DOI	10.1109/SC.2000.10016
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2000-11-04
Access Restriction	Subscribed
Rights Holder	Non IEEE
Subject Keyword	Computational modeling Computer simulation Ewald method molecular dynamics simulation special-purpose computer
Content Type	Text
Resource Type	Article

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