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Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A

文献类型：会议论文

作者Hou, Chaofeng1; Xu, Ji1; Wang, Peng2; Huang, Wenlai1; Wang, Xiaowei1; Ge, Wei1; He, Xianfeng1; Guo, Li1; Li, Jinghai1
出版日期2013-08-01
关键词Computer graphics equipment - Surface reactions - Program processors - Molecular dynamics - Reaction kinetics - Digital arithmetic - Silicon - Crystalline materials - Image coding - Computer graphics - Surface defects - Grain boundaries
卷号27
期号3
DOI10.1177/1094342012456047
页码307-317
英文摘要An efficient and highly scalable bond-order potential code has been developed for the molecular dynamics simulation of bulk silicon, reaching 1.87 Pflops (floating point operations per second) in single precision on 7168 graphic processing units (GPUs) of the Tianhe-1A system. Furthermore, by coupling GPUs and central processing units, we also simulated surface reconstruction of crystalline silicon at the sub-millimeter scale with more than 110 billion atoms, reaching 1.17 Pflops in single precision plus 92.1 Tflops in double precision on the entire Tianhe-1A system. Such simulations can provide unprecedented insight into a variety of microscopic behaviors or structures, such as doping, defects, grain boundaries, and surface reactions. 漏 2012 The Author(s).
项目编号This work was supported by the Ministry of Finance (grant No. ZDYZ2008-2), the Ministry of Science and Technology (grants Nos. 2008BAF33B01 and 2007DFA41320), the National Science Foundation (grants Nos. 20821092 and 21106147), and the Chinese Academy of Science (grants Nos. KGCX2-YW-124, KGCX2-YW-222, and KGCX2-YW-362).
资助机构SAGE Publications Inc., United States
学科主题Graphics Processing Unit
源URL[http://ir.ipe.ac.cn/handle/122111/59344]  
作者单位1.Institute of Process Engineering, Chinese Academy of Sciences, P. O. Box 353, Beijing 100190, China
2.Nvidia Corporation, China
推荐引用方式
GB/T 7714		 Hou, Chaofeng,Xu, Ji,Wang, Peng,et al. Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A[C]. 见:.

入库方式： OAI收割

来源：过程工程研究所

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