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Petascale molecular dynamics simulation of crystalline silicon on Tianhe-IA
Hou, Chaofeng; Xu, Ji; Wang, Peng; Huang, Wenlai; Wang, Xiaowei; Ge, Wei; He, Xianfeng; Guo, Li; Li, Jinghai
2013-08-01
Source PublicationINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
Volume27Issue:3Pages:307-317
AbstractAn 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.
KeywordCrystalline Silicon Molecular Dynamics Simulation Graphic Processing Unit Algorithms Performance
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
Indexed BySCI
Language英语
WOS KeywordTHERMAL-CONDUCTIVITY ; NANOWIRES ; PROCESSORS ; ADSORPTION ; SYSTEMS ; SURFACE ; STATE ; WATER ; SIZE
WOS Research AreaComputer Science
WOS SubjectComputer Science, Hardware & Architecture ; Computer Science, Interdisciplinary Applications ; Computer Science, Theory & Methods
WOS IDWOS:000325993400009
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/13631
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China
Recommended Citation
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.
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