Parallelization and performance tuning of molecular dynamics code with OpenMP
Author:
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,General Materials Science
Link
http://link.springer.com/content/pdf/10.1007/s11771-006-0120-7.pdf
Reference10 articles.
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3. Couturier R, Chipot C. Parallel molecular dynamics using openMP on a shared memory machine[J]. Comput Phys Commun, 2000, 124(1): 49–59.
4. Goedecker S. Optimization and parallelization of a force field for silicon using openMP[J]. Comput Phys Commun, 2002, 148(1): 124–135.
5. Plimton S. Fast parallel algorithms for short-range molecular dynamics[J]. J Comp Phys, 1995, 117(1): 1–19.
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1. Performance metrics in a hybrid MPI–OpenMP based molecular dynamics simulation with short-range interactions;Journal of Parallel and Distributed Computing;2014-03
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