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 | |
刊名 | INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
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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 |
内容类型 | 期刊论文 |
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. |
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