中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Application of the Mole-8.5 supercomputer: Probing the whole influenza virion at the atomic level

文献类型:期刊论文

作者Xu Ji1,2; Wang XiaoWei1; He XianFeng1; Ren Ying1; Ge Wei1; Li JingHai1
刊名CHINESE SCIENCE BULLETIN
出版日期2011-07-01
卷号56期号:20页码:2114-2118
关键词influenza virion Mole-8.5 supercomputer GPU molecular dynamics simulation
ISSN号1001-6538
通讯作者Ren, Y
英文摘要Discrete computer simulations are quite helpful in understanding dynamic structures in complex systems. Recently, using the Mole-8.5 supercomputer and molecular dynamics simulations as a "computational microscope", we simulated the dynamic structure of a whole H1N1 influenza virion in solution for the first time at the atomic level. In total, 300 million atoms in a periodic cube with an edge length of 148.5 nm were simulated. Using 288 low level hybrids with 1728 C2050 GPUs and a software package developed specifically for the hardware, the simulation executed 770 ps/d with an integration time step of 1 fs, and analyzed the dynamic structure. With the tremendous computational power of GPUs, efficient software packages for various hardware designs, and consistent physical models, more challenging applications will be carried out in the near future.
WOS标题词Science & Technology
类目[WOS]Multidisciplinary Sciences
研究领域[WOS]Science & Technology - Other Topics
关键词[WOS]DISCRETE SIMULATION ; MOLECULAR-DYNAMICS ; GROWTH ; VIRUS
收录类别SCI
语种英语
WOS记录号WOS:000292271300007
公开日期2013-11-05
版本出版稿
源URL[http://ir.ipe.ac.cn/handle/122111/4862]  
专题过程工程研究所_多相复杂系统国家重点实验室
作者单位1.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714
Xu Ji,Wang XiaoWei,He XianFeng,et al. Application of the Mole-8.5 supercomputer: Probing the whole influenza virion at the atomic level[J]. CHINESE SCIENCE BULLETIN,2011,56(20):2114-2118.
APA Xu Ji,Wang XiaoWei,He XianFeng,Ren Ying,Ge Wei,&Li JingHai.(2011).Application of the Mole-8.5 supercomputer: Probing the whole influenza virion at the atomic level.CHINESE SCIENCE BULLETIN,56(20),2114-2118.
MLA Xu Ji,et al."Application of the Mole-8.5 supercomputer: Probing the whole influenza virion at the atomic level".CHINESE SCIENCE BULLETIN 56.20(2011):2114-2118.

入库方式: OAI收割

来源:过程工程研究所

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