计算机工程与科学2017，Vol.39Issue(8)：1391-1396,6.DOI:10.3969/j.issn.1007-130X.2017.08.001
基于Intel MIC平台大规模耗散粒子动力学模拟的设计与优化
Design and optimization of large scale dissipative particle dynamics simulation on Intel MIC platform
摘要
Abstract
Dissipative particle dynamics (DPD) simulation is an important computational simulation method to investigate the dynamic characteristics of the fluid.We design and carry out an Intel MIC platform-based large-scale dissipative particle dynamics simulation.The design combines the characteristics of DPD simulation and the features of MIC platform.The critical codes of DPD simulation such as neighbor list building and calculation of short-range force are designed with the vector optimization.A load balancing mechanism of tasks between the CPU and MIC co-processors is applied to support the load balancing control of the number of threads within a MPI process.The performance analysis on a prototype program and LAMMPS integration program is compared,and the experimental data show the effectiveness of introducing relevant optimization technologies.This work lays the foundation for further research on molecular dynamics simulations on MIC many-core platform.关键词
耗散粒子动力学/众核/图像处理单元/分子动力学Key words
dissipative particle dynamics/many-core/GPU/molecular dynamics分类
信息技术与安全科学引用本文复制引用
徐顺,刘倩,张宝花,何连花,金钟..基于Intel MIC平台大规模耗散粒子动力学模拟的设计与优化[J].计算机工程与科学,2017,39(8):1391-1396,6.基金项目
国家重点研发计划“高性能计算”重点专项项目(2016YFB0201700) （2016YFB0201700）
中国科学院-英特尔并行计算中心项目(902016000200) （902016000200）
中国科学院青年创新促进会(2016156) （2016156）
