Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs | |
Chen FeiGuo1,2; Ge Wei1; Li JingHai1; Ge, W | |
2009-03-01 | |
Source Publication | SCIENCE IN CHINA SERIES B-CHEMISTRY
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ISSN | 1006-9291 |
Volume | 52Issue:3Pages:372-380 |
Abstract | Compute Unified Device Architecture (CUDA) was used to design and implement molecular dynamics (MD) simulations on graphics processing units (GPU). With an NVIDIA Tesla C870, a 20-60 fold speedup over that of one core of the Intel Xeon 5430 CPU was achieved, reaching up to 150 Gflops. MD simulation of cavity flow and particle-bubble interaction in liquid was implemented on multiple GPUs using a message passing interface (MPI). Up to 200 GPUs were tested on a special network topology, which achieves good scalability. The capability of GPU clusters for large-scale molecular dynamics simulation of meso-scale flow behavior was, therefore, uncovered. |
Keyword | Multiphase Flow Molecular Dynamics Cuda Gpu Parallel Computing |
Subtype | Article |
WOS Headings | Science & Technology ; Physical Sciences |
DOI | 10.1007/s11426-009-0069-0 |
Indexed By | SCI |
Language | 英语 |
WOS Keyword | GRAPHICS PROCESSING UNITS ; DRIVEN CAVITY FLOW ; SURFACE-TENSION ; BUBBLE ; PARTICLES |
WOS Research Area | Chemistry |
WOS Subject | Chemistry, Multidisciplinary |
WOS ID | WOS:000264886800019 |
Citation statistics | |
Document Type | 期刊论文 |
Version | 出版稿 |
Identifier | http://ir.ipe.ac.cn/handle/122111/6718 |
Collection | 多相复杂系统国家重点实验室 |
Corresponding Author | Ge, W |
Affiliation | 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 100039, Peoples R China |
Recommended Citation GB/T 7714 | Chen FeiGuo,Ge Wei,Li JingHai,et al. Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(3):372-380. |
APA | Chen FeiGuo,Ge Wei,Li JingHai,&Ge, W.(2009).Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs.SCIENCE IN CHINA SERIES B-CHEMISTRY,52(3),372-380. |
MLA | Chen FeiGuo,et al."Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs".SCIENCE IN CHINA SERIES B-CHEMISTRY 52.3(2009):372-380. |
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