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

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.