Molecular-Dynamics Simulations Using Spatial Decomposition and Task-Based Parallelism

Chris M. Mangiardi () and R. Meyer ()
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Chris M. Mangiardi: Laurentian University
R. Meyer: Laurentian University

A chapter in Mathematical and Computational Approaches in Advancing Modern Science and Engineering, 2016, pp 133-140 from Springer

Abstract: Abstract This article discusses the implementation of a hybrid algorithm for the parallelization of molecular-dynamics simulations. The hybrid algorithm combines the spatial decomposition method using message passing with a task-based, threaded approach for the parallelization of the workload. Benchmark simulations on a multi-core system and an Intel Xeon Phi co-processor show that the hybrid algorithm provides better performances than the message-passing or threaded approaches alone.

Keywords: Spatial Decomposition Method; Task-based Parallelism; Multi-core Systems; Threading Approach; Benchmark Simulation (search for similar items in EconPapers)
Date: 2016
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-319-30379-6_13

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DOI: 10.1007/978-3-319-30379-6_13

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