A NOVEL MODE AND ITS VERIFICATION OF PARALLEL MOLECULAR DYNAMICS SIMULATION WITH THE COUPLING OF GPU AND CPU
文献类型：期刊论文
| 作者 | Hou, Chaofeng; Ge, Wei |
| 刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS C
 |
| 出版日期 | 2012-02-01 |
| 卷号 | 23期号:2页码:1250015 |
| 关键词 | Graphics processing unit central processing unit coupling molecular dynamics simulation parallel implementation |
| ISSN号 | 0129-1831 |
| 其他题名 | Int. J. Mod. Phys. C |
| 中文摘要 | Graphics processing unit (GPU) is becoming a powerful computational tool in scientific and engineering fields. In this paper, for the purpose of the full employment of computing capability, a novel mode for parallel molecular dynamics (MD) simulation is presented and implemented on basis of multiple GPUs and hybrids with central processing units (CPUs). Taking into account the interactions between CPUs, GPUs, and the threads on GPU in a multi-scale and multilevel computational architecture, several cases, such as polycrystalline silicon and heat transfer on the surface of silicon crystals, are provided and taken as model systems to verify the feasibility and validity of the mode. Furthermore, the mode can be extended to MD simulation of other areas such as biology, chemistry and so forth. |
| 英文摘要 | Graphics processing unit (GPU) is becoming a powerful computational tool in scientific and engineering fields. In this paper, for the purpose of the full employment of computing capability, a novel mode for parallel molecular dynamics (MD) simulation is presented and implemented on basis of multiple GPUs and hybrids with central processing units (CPUs). Taking into account the interactions between CPUs, GPUs, and the threads on GPU in a multi-scale and multilevel computational architecture, several cases, such as polycrystalline silicon and heat transfer on the surface of silicon crystals, are provided and taken as model systems to verify the feasibility and validity of the mode. Furthermore, the mode can be extended to MD simulation of other areas such as biology, chemistry and so forth. |
| WOS标题词 | Science & Technology ; Technology ; Physical Sciences |
| 类目[WOS] | Computer Science, Interdisciplinary Applications ; Physics, Mathematical |
| 研究领域[WOS] | Computer Science ; Physics |
| 关键词[WOS] | GRAPHICS PROCESSING UNITS ; SYSTEMS ; PERFORMANCE ; CUDA |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000303344600007 |
| 公开日期 | 2013-11-28 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/6413]  |
| 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, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hou, Chaofeng,Ge, Wei. A NOVEL MODE AND ITS VERIFICATION OF PARALLEL MOLECULAR DYNAMICS SIMULATION WITH THE COUPLING OF GPU AND CPU[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C,2012,23(2):1250015. |
| APA | Hou, Chaofeng,&Ge, Wei.(2012).A NOVEL MODE AND ITS VERIFICATION OF PARALLEL MOLECULAR DYNAMICS SIMULATION WITH THE COUPLING OF GPU AND CPU.INTERNATIONAL JOURNAL OF MODERN PHYSICS C,23(2),1250015. |
| MLA | Hou, Chaofeng,et al."A NOVEL MODE AND ITS VERIFICATION OF PARALLEL MOLECULAR DYNAMICS SIMULATION WITH THE COUPLING OF GPU AND CPU".INTERNATIONAL JOURNAL OF MODERN PHYSICS C 23.2(2012):1250015. |
入库方式： OAI收割
来源：过程工程研究所
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