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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