Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism
Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism
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成对 Verlet 列表：组合单元列表和 Verlet 列表以提高内存局部性和并行性
DOI：
10.1002/jcc.21945
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发表时间：
2012
影响因子：
3
通讯作者：
P. Gonnet
中科院分区：
文献类型：
--
作者：
P. Gonnet
Verlet列表通常用于许多基于粒子的模拟，不适合现代的共享内存并行多核架构。在这篇文章中，我们介绍成对的Verlet列表：本地Verlet列表只包含一对相邻计算单元之间的相互作用的粒子对。我们表明，这些成对的Verlet列表比传统的全局Verlet列表更有效，扩展性更好，无论是在单个处理器上还是在多个共享内存内核上。单核上的性能改进也使它们成为分布式内存模拟的有趣选择。© 2011 Wiley Periodicals，Inc. J Comput Chem，2011年
Verlet lists, which are commonly used in many particle‐based simulations, are not suited for modern, shared‐memory parallel multicore architectures. In this article, we introduce pairwise Verlet lists: local Verlet lists containing only interacting particle pairs between a pair of neighboring computational cells. We show that these pairwise Verlet lists are more efficient and scale much better than the traditional global Verlet list, both on a single processor as well as on multiple shared‐memory cores. The improved performance on a single core makes them an interesting option for distributed‐memory simulations as well. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011