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Petascale molecular dynamics simulation of crystalline silicon on Tianhe-IA

文献类型：期刊论文

作者Hou, Chaofeng; Xu, Ji; Wang, Peng; Huang, Wenlai; Wang, Xiaowei; Ge, Wei; He, Xianfeng; Guo, Li; Li, Jinghai
刊名INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
出版日期2013-08-01
卷号27期号:3页码:307-317
关键词crystalline silicon molecular dynamics simulation graphic processing unit algorithms performance
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.
WOS标题词Science & Technology ; Technology
类目[WOS]Computer Science, Hardware & Architecture ; Computer Science, Interdisciplinary Applications ; Computer Science, Theory & Methods
研究领域[WOS]Computer Science
关键词[WOS]THERMAL-CONDUCTIVITY ; NANOWIRES ; PROCESSORS ; ADSORPTION ; SYSTEMS ; SURFACE ; STATE ; WATER ; SIZE
收录类别SCI
语种英语
WOS记录号WOS:000325993400009
公开日期2015-05-27
源URL[http://ir.ipe.ac.cn/handle/122111/13631]  
专题过程工程研究所_研究所（批量导入）
作者单位Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R 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-IA[J]. INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS,2013,27(3):307-317.
APA Hou, Chaofeng.,Xu, Ji.,Wang, Peng.,Huang, Wenlai.,Wang, Xiaowei.,...&Li, Jinghai.(2013).Petascale molecular dynamics simulation of crystalline silicon on Tianhe-IA.INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS,27(3),307-317.
MLA Hou, Chaofeng,et al."Petascale molecular dynamics simulation of crystalline silicon on Tianhe-IA".INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS 27.3(2013):307-317.

入库方式： OAI收割

来源：过程工程研究所

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