面向异构计算的高性能计算算法与软件  

High Performance Computing Algorithm and Software for Heterogeneous Computing

作　　者：徐顺[1,2] 王武[1,2] 张鉴[1,2] 姜金荣[1,2] 金钟[1,2,3] 迟学斌 XU Shun;WANG Wu;ZHANG Jian;JIANG Jin-Rong;JIN Zhong;CHI Xue-Bin(Computer Network Information Center,Chinese Academy of Sciences,Beijing 100190,China;Center of Scientific Computing Applications and Research,Chinese Academy of Sciences,Beijing 100190,China;Guangdong Provincial Key Laboratory of Biocomputing(Guangzhou Institutes of Biomedicine and Health,Chinese Academy of Sciences),Guangzhou 510530,China)

机构地区：[1]中国科学院计算机网络信息中心,北京100190 [2]中国科学院计算科学应用研究中心,北京100190 [3]广东省生物医药计算重点实验室(中国科学院广州生物医药与健康研究院),广东广州510530

出　　处：《软件学报》2021年第8期2365-2376,共12页Journal of Software

基　　金：国家重点研发计划(2016YFB0201701);国家自然科学基金(41931183,11871454);中国科学院战略性先导科技专项(C类)(XDC01030200);中国科学院“十三五”信息化专项(XXH13506-404,XXH13506-405);广东省生物医药计算重点实验室资助项目(2016B030301007)。

摘　　要：研发适应国产异构计算环境的高性能计算算法与软件是非常重要的课题,对我国高性能计算软件研发匹配高性能计算硬件高水平发展的速度具有重要意义.首先,简要介绍高性能计算应用软件的现状、趋势和面临挑战,并对几类典型高性能计算应用软件开展并行计算算法特征分析,涵盖了宇宙N体模拟、地球系统模式、计算材料相场动力学、分子动力学、量子计算化学和格点量子色力学等多个问题、尺度和领域.其次,讨论了面向国产异构计算系统的对策,提炼出若干典型应用算法和软件的共性问题,涉及核心算法、算法发展、优化策略等.最后,面向异构计算体系结构,对高性能计算算法与软件进行了总结.It is very important to develop high performance computing algorithm and software adapting China heterogeneous supercomputer.This has also great significance in minimizing the gap between China’s HPC hardware and HPC software.Firstly,the article briefly introduces current trend and challenges of high-performance computing application software and analyzes computing algorithm characteristics of various typical high performance computing applications including N-body simulation in computing cosmology,earth system model,computational material phase field dynamics,molecular dynamics,quantum chemistry,and lattice QCD.Secondly,solution to use domestic heterogeneous computing system has been discussed and typical application algorithms,common questions of software including core algorithm,development of algorithm,strategies of optimizing codes have been summarized as well.Finally,a summary of high-performance computing algorithms and software for heterogeneous computing is given.

关 键 词：高性能计算 异构计算 并行算法 科学计算软件 

分 类 号：TP301[自动化与计算机技术—计算机系统结构]