A special-purpose computer for molecular dynamics simulations: MDM

被引:0
作者
Narumi, T [1 ]
机构
[1] RIKEN, Genom Sci Ctr, High Performance Biocomp Team, Yokohama, Kanagawa 2440408, Japan
来源
ASTROPHYSICAL SUPERCOMPUTING USING PARTICLE SIMULATIONS | 2003年 / 208期
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中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
We developed a special-purpose computer for molecular dynamics simulations, which we call Molecular Dynamics Machine (MDM). MDM accelerates the Coulomb and van der Waals force calculation with the Ewald method. It is composed of three parts: qMDGRAPE-2, WINE-2 and a host computer. MDGRAPE-2 accelerates the real-space part of the Coulomb and van der Waals forces. WINE-2 accelerates wavenumber-space part of the Coulomb force. The host computer performs other calculations. The peak performance is 78 Tflop/s. It can also be used for cosmological,Smoothed Particle Hydrodynamics, and vortex dynamics simulations.
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页码:349 / 358
页数:10
相关论文
共 17 条
[1]  
[Anonymous], P 6 JOINT EPS APS IN
[2]   A HIERARCHICAL O(N-LOG-N) FORCE-CALCULATION ALGORITHM [J].
BARNES, J ;
HUT, P .
NATURE, 1986, 324 (6096) :446-449
[3]   A SMOOTH PARTICLE MESH EWALD METHOD [J].
ESSMANN, U ;
PERERA, L ;
BERKOWITZ, ML ;
DARDEN, T ;
LEE, H ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) :8577-8593
[4]  
Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253
[5]  
FUKUSHIGE T, 1993, PUBL ASTRON SOC JPN, V45, P361
[6]   A FAST ALGORITHM FOR PARTICLE SIMULATIONS [J].
GREENGARD, L ;
ROKHLIN, V .
JOURNAL OF COMPUTATIONAL PHYSICS, 1987, 73 (02) :325-348
[7]  
Hachisu I., 1995, Parallel Computational Fluid Dynamics. New Algorithms and Applications. Proceedings of the Parallel CFD '94 Conference, P155
[8]  
HOCKNEY RW, 1981, COMPUTER SIMULATION
[9]  
MAKINO J, 2001, IAU S, V208
[10]  
Narumi E, 1999, MOL SIMULAT, V21, P401