分子动力学代码的并行化

Vibhuti Duggal, D. N. V. R. Subrahmanyam, Gaurav Mishra, Kislay Bhatt, R. Kalmady
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引用次数: 0

摘要

探索了不同的并行编程范式来并行化MD-ILAC[1][2][3][4] (Molecular Dynamics for Interaction of Laser with Atomic Clusters)。MD-ILAC是模拟强激光与原子团簇相互作用的三维相对论分子动力学代码。它可以模拟各种气体团簇的相互作用动力学。分子动力学方法特别适合研究这一问题,因为原子团簇是少数粒子的集合。在本文中,我们对使用不同的并行处理范式并行化该程序所获得的性能进行了比较研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Parallelization of molecular dynamics code
Different parallel programming paradigms were explored to parallelize the MD-ILAC[1][2][3][4] (Molecular Dynamics for Interaction of Laser with Atomic Clusters). MD-ILAC is a 3 dimensional, relativistic molecular dynamic code to simulate the interaction of intense lasers with atomic clusters. It can simulate the interaction dynamics of various gaseous clusters. Molecular Dynamics approach is especially suited to study this problem, as an atomic cluster is a collection of a few particles. In this paper, we present a comparative study of performance achieved by parallelizing this program using different parallel processing paradigms.
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