Mathematical Institute, University of Oxford, Oxford United Kingdom.
J Comput Chem. 2012 Jan 5;33(1):76-81. doi: 10.1002/jcc.21945. Epub 2011 Sep 26.
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.
在许多基于粒子的模拟中广泛使用的 Verlet 链表不适合现代的共享内存并行多核架构。在本文中，我们引入了成对的 Verlet 链表：只包含一对相邻计算单元之间相互作用的粒子对的局部 Verlet 链表。我们表明，这些成对的 Verlet 链表比传统的全局 Verlet 链表在单个处理器以及多个共享内存核上都更有效率，而且扩展得更好。在单核上的性能提升使得它们也成为分布式内存模拟的一个有趣选择。
