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Issue No. 04 - July-Aug. (2013 vol. 15)
ISSN: 1521-9615
pp: 48-56
Mingze Bai , University of Electronic Science and Technology of China
Shixin Sun , University of Electronic Science and Technology of China
Hong Tang , Chongqing University of Posts and Telecommunications
Yusheng Dou , Chongqing University of Posts and Telecommunications
Glenn V. Lo , Nicholls State University
ABSTRACT
The efficiency and scalability of early efforts to parallelize molecular dynamics calculations on shared-memory systems using OpenMP have been limited by attempts to avoid data race. Recent work has produced better performance, but involves significant revisions to the serial code. A new algorithm addresses these limitations.
INDEX TERMS
Computational modeling, Molecular computing, Heuristic algorithms, Biological system modeling, Multicore processing, Message systems,spatial decomposition, molecular dynamics, parallel computing, OpenMP, SPMD-like, single program multiple data
CITATION
Mingze Bai, Shixin Sun, Hong Tang, Yusheng Dou, Glenn V. Lo, "An SPMD-Like Algorithm for Parallelizing Molecular Dynamics Using OpenMP", Computing in Science & Engineering, vol. 15, no. , pp. 48-56, July-Aug. 2013, doi:10.1109/MCSE.2012.66
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