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An SPMD-Like Algorithm for Parallelizing Molecular Dynamics Using OpenMP

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5 Author(s)
Mingze Bai ; Univ. of Electron. Sci. & Technol. of China, Chengdu, China ; Shixin Sun ; Hong Tang ; Yusheng Dou
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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.

Published in:

Computing in Science & Engineering  (Volume:15 ,  Issue: 4 )