Valerie E. Taylor, Rick L. Stevens, Kathryn E. Arnold  Home/Search
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Abstract: Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular systems, from large-scale computations of materials to the design and modeling of drug compounds. In this paper we address two major issues: a good decomposition method that can take advantage of future massively parallel processing systems for modest-sized problems in the range of 50,000 atoms and the communication requirements needed to achieve 30 to 40% efficiency on MPPs. We analyzed a scalable... (Update)
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BibTeX entry: (Update)
@misc{ taylor-parallel,
author = "Valerie E. Taylor and Rick L. Stevens and Kathryn E. Arnold",
title = "Parallel Molecular Dynamics: Communication Requirements for Massively Parallel
Machines",
url = "citeseer.ist.psu.edu/84930.html" }
Citations (may not include all citations):277 A Fast Algorithm for Particle Simulations - Greengard - 1987
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49 A Hierarchical O(NlogN) Force-Calculation Algorithm (context) - Barnes - 1986
37 Solving Problems on Concurrent Processors: Volume (context) - Fox, Johnson et al. - 1988
31 Parallelization of CHARMM for MIMD machines (context) - Brooks, Hodoscek - 1992
28 Molecular Gas Dynamics (context) - Bird - 1976
23 Parallel Molecular Dynamics (context) - Clark, McCammon et al. - 1992
18 System Design of the J-Machine (context) - Noakes - 1990
16 User's Guide to the p4 Parallel Programming System (context) - Lusk, Butler - 1992
14 Molecular Dynamics on Hypercube Parallel Computers (context) - Smith - 1991
12 Atomic Level Simulations on a Million Particles: The Cell Mu.. (context) - Hong-Qiang, Karasawa - 1992
9 Parallel Computers and Molecular Simulation (context) - Fincham - 1987
8 Quiet High-Resolution Computer Models of a Plasma (context) - Hockney, Goel et al. - 1974
4 Computer Experiments on Classical Fluids I: Thermodynamical .. (context) - Verlet - 1967
3 Atoms and Molecules (context) - Karplus - 1970
2 Molecular Dynamics of Protein Molecules (context) - Moss - 1990
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