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Hybrid decomposition method in parallel molecular dynamics simulation based on SMP cluster architecture
Wang Bing ; Shu Jiwu ; Zheng Weimin ; Wang Jinzhao ; Chen Min
2010-05-06 ; 2010-05-06
关键词Practical Theoretical or Mathematical/ digital simulation molecular dynamics method multiprocessing systems nucleation parallel algorithms parallel architectures physics computing workstation clusters/ hybrid decomposition method parallel molecular dynamics simulation SMP cluster architecture spatial decomposition force decomposition symmetric multiprocessor nodes particle distribution internode communication load balancing nucleation process hybrid method nonuniform spatial density/ C7320 Physics and chemistry computing C6150N Distributed systems software C5440 Multiprocessing systems C5220P Parallel architecture
中文摘要A hybrid decomposition method for molecular dynamics simulations was presented, using simultaneously spatial decomposition and force decomposition to fit the architecture of a cluster of symmetric multi-processor (SMP) nodes. The method distributes particles between nodes based on the spatial decomposition strategy to reduce inter-node communication costs. The method also partitions particle pairs within each node using the force decomposition strategy to improve the load balance for each node. Simulation results for a nucleation process with 4000000 particles show that the hybrid method achieves better parallel performance than either spatial or force decomposition alone, especially when applied to a large scale particle system with non-uniform spatial density.
语种英语 ; 英语
出版者Editorial Board of J. of Tsinghua University ; China
内容类型期刊论文
源URL[http://hdl.handle.net/123456789/9724]  
专题清华大学
推荐引用方式
GB/T 7714
Wang Bing,Shu Jiwu,Zheng Weimin,et al. Hybrid decomposition method in parallel molecular dynamics simulation based on SMP cluster architecture[J],2010, 2010.
APA Wang Bing,Shu Jiwu,Zheng Weimin,Wang Jinzhao,&Chen Min.(2010).Hybrid decomposition method in parallel molecular dynamics simulation based on SMP cluster architecture..
MLA Wang Bing,et al."Hybrid decomposition method in parallel molecular dynamics simulation based on SMP cluster architecture".(2010).
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