高性能计算之源起——科学计算的应用现状及发展思考
Origin of High Performance Computing -Current Status and Developments of Scientific Computing Applications
Origin of High Performance Computing -Current Status and Developments of Scientific Computing Applications
作者
金钟(中国科学院计算机网络信息中心 北京 100190;中国科学院计算科学应用研究中心 北京 100190)
陆忠华(中国科学院计算机网络信息中心 北京 100190)
李会元(中国科学院软件研究所 北京 100190)
迟学斌(中国科学院计算机网络信息中心 北京 100190;中国科学院计算科学应用研究中心 北京 100190)
孙家昶(中国科学院软件研究所 北京 100190)
陆忠华(中国科学院计算机网络信息中心 北京 100190)
李会元(中国科学院软件研究所 北京 100190)
迟学斌(中国科学院计算机网络信息中心 北京 100190;中国科学院计算科学应用研究中心 北京 100190)
孙家昶(中国科学院软件研究所 北京 100190)
中文关键词
科学计算;高性能计算机;高性能计算应用
英文关键词
scientific computing;high performance computer;high performance computing applications
中文摘要
现代科学研究和工程技术中，高性能计算应用将建模、算法、软件研制和计算模拟融为一体，已成为高性能计算机实现在重大科学发现的前沿基础科学研究领域应用的必要纽带。文章从高性能计算机的发展趋势、不同科学计算应用对高性能计算机的需求谈起，回顾和剖析了来自中国科学院多个学科的科学家协同通关，发挥学科深度交叉的优势，在“曙光1000”并行计算机上完成了多个应用软件并在天然DNA的整体电子结构理论计算、激光晶体材料（LBO）电子态理论分析及广义本征值并行计算等方面取得了令人瞩目的高水平成果的案例。多年来，中国科学院始终位列我国科学计算应用发展的前沿。在应用水平、计算规模及成果显示度均取得了长足进步的背景下，文章选取了大气科学、生命科学、高能物理、计算化学和材料科学等典型传统科学计算应用，从科学家的视角对它们的现状、领域发展促进及未来趋势作了介绍，以期能引发读者更深入的思考与关注。最后，提出了进一步发展我国科学计算的若干建议。
英文摘要
Combining scientific modeling, algorithm, development of software, and computational simulation, high performance computing plays a very important role in key scientific discoveries of basic scientific research area and modern engineering technology. Starting from demands of different scientific computing applications toward high performance computer and its development trend, this article analyzed a successful case that scientists from different institutes of Chinese Academy of Sciences (CAS) by working together finished a variety of application packages on Dawning 1000 supercomputer. They achieved some milestones in electronic structure calculation of natural DNA molecule, electronic state theoretical analysis of laser crystal material, and parallel computing of eigenvalue problem. CAS is always in the frontier of domestic scientific computing applications these years. In the condition of higher application level, larger computational scale, and outstanding achievements, we selected several typical traditional scientific computing applications including atmosphere science, life science, high energy physics, computational chemistry, material science and introduced their current status, promotion to application field, and future trend from a point of view of a scientist. Finally, several suggestions on developing China's further scientific computing have been proposed.
DOI10.16418/j.issn.1000-3045.2019.06.004
作者简介
金钟 中国科学院计算机网络信息中心高性能计算部主任、研究员、博士生导师,中国科学院计算科学应用研究中心副主任。2006年获美国埃默里大学哲学博士学位。国家重点研发计划"高性能计算"专项项目"基于国家高性能计算环境的生物医药应用服务社区"项目负责人。主要研究方向为高性能计算与软件和生物医药计算应用技术。曾获首届"中国科学院超级计算应用奖"最佳应用奖(2013年)。已在国际知名学术杂志上发表SCI论文近40篇并受邀在国内外重要学术会议上作报告30余次。
E-mail:zjin@sccas.cn
JIN Zhong Professor,Director of High Performance Computing Department,Computer Network Information Center,Chinese Academy of Sciences (CAS),Deputy Director of Center of Scientific Computing Applications&Research,CAS.He obtained a Ph.D.degree from Emory University in 2006.He serves as the PI of Biomedical Application Service Village based on the National High Performance Computing Environment supported by the National Key Research and Development Program of China "High Performance Computing".His research focuses on parallel computing and software and biomedicine computing application technology.He received the best application award of CAS Supercomputing Application Prize in 2013.He has published about 40 journal papers and gave more than 30 invited talks.
E-mail:zjin@sccas.cn
迟学斌 中国科学院计算机网络信息中心副主任、研究员、博士生导师,中国科学院计算科学应用研究中心主任。1989年获得中国科学院计算中心计算数学博士学位。国家重点研发计划"高性能计算"专项项目"国家高性能计算环境服务化机制与支撑体系研究(一期)和(二期)"项目负责人。主要研究方向为并行计算与软件和网格计算技术。曾获得国家科技进步奖二等奖3项;中国科学院自然科学奖二等奖1项;中国科学院科技进步奖二等奖2项;中国科学院青年科学家奖二等奖1项;北京市科学技术奖二等奖1项;1996年获政府特殊津贴。"十一五"和"十二五"期间连续担任科技部"863计划""高效能计算机及网格服务环境"重大项目专家组成员。
E-mail:chi@sccas.cn
CHI Xuebin Professor,Deputy Director of Computer Network Information Center,Chinese Academy of Sciences,Director of Center of Scientific Computing Applications&Research,Chinese Academy of Sciences (CAS).He obtained a Ph.D.degree from the Computing Center of Chinese Academy of Sciences in 1989.He serves as the PI of Study of the National High Performance Computing Environment Service Mechanism and Supporting System I and II supported by the National Key Research and Development Program of China "High Performance Computing".His research focuses on parallel computing and software and computing grid technology.He has received many rewards including the Second Prize of National Science and Technology Progress Award (2000,2005,2007);the Second Prize of Chinese Academy of Sciences Natural Science Award (1994);the Second Prize of Chinese Academy of Sciences Science and Technology Progress Award (1995,1998);the Second Prize of Chinese Academy of Sciences Young Scientist (1995);the Second Prize of Beijing Science and Technology Award (2008).
E-mail:chi@sccas.cn
E-mail:zjin@sccas.cn
JIN Zhong Professor,Director of High Performance Computing Department,Computer Network Information Center,Chinese Academy of Sciences (CAS),Deputy Director of Center of Scientific Computing Applications&Research,CAS.He obtained a Ph.D.degree from Emory University in 2006.He serves as the PI of Biomedical Application Service Village based on the National High Performance Computing Environment supported by the National Key Research and Development Program of China "High Performance Computing".His research focuses on parallel computing and software and biomedicine computing application technology.He received the best application award of CAS Supercomputing Application Prize in 2013.He has published about 40 journal papers and gave more than 30 invited talks.
E-mail:zjin@sccas.cn
迟学斌 中国科学院计算机网络信息中心副主任、研究员、博士生导师,中国科学院计算科学应用研究中心主任。1989年获得中国科学院计算中心计算数学博士学位。国家重点研发计划"高性能计算"专项项目"国家高性能计算环境服务化机制与支撑体系研究(一期)和(二期)"项目负责人。主要研究方向为并行计算与软件和网格计算技术。曾获得国家科技进步奖二等奖3项;中国科学院自然科学奖二等奖1项;中国科学院科技进步奖二等奖2项;中国科学院青年科学家奖二等奖1项;北京市科学技术奖二等奖1项;1996年获政府特殊津贴。"十一五"和"十二五"期间连续担任科技部"863计划""高效能计算机及网格服务环境"重大项目专家组成员。
E-mail:chi@sccas.cn
CHI Xuebin Professor,Deputy Director of Computer Network Information Center,Chinese Academy of Sciences,Director of Center of Scientific Computing Applications&Research,Chinese Academy of Sciences (CAS).He obtained a Ph.D.degree from the Computing Center of Chinese Academy of Sciences in 1989.He serves as the PI of Study of the National High Performance Computing Environment Service Mechanism and Supporting System I and II supported by the National Key Research and Development Program of China "High Performance Computing".His research focuses on parallel computing and software and computing grid technology.He has received many rewards including the Second Prize of National Science and Technology Progress Award (2000,2005,2007);the Second Prize of Chinese Academy of Sciences Natural Science Award (1994);the Second Prize of Chinese Academy of Sciences Science and Technology Progress Award (1995,1998);the Second Prize of Chinese Academy of Sciences Young Scientist (1995);the Second Prize of Beijing Science and Technology Award (2008).
E-mail:chi@sccas.cn
