论文标题
GPU分子动力学：算法和性能
GPU molecular dynamics: Algorithms and performance
论文作者
论文摘要
先前对用于GPU使用的MD算法的研究已扩展，以涵盖GPU体系结构的最新发展。描述了算法修改，以及对更复杂系统的扩展。新的测量包括增加并行性对GPU性能的影响，以及基于CPU线程和消息传递的多核CPU与多核CPU进行比较。结果表明，GPU保留了显着的性能优势。
A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture. Algorithm modifications are described, together with extensions to more complex systems. New measurements include the effects of increased parallelism on GPU performance, as well as comparisons with multiple-core CPUs using multitasking based on CPU threads and message passing. The results show that the GPU retains a significant performance advantage.
