Accelerating dissipative particle dynamics with multiple GPUs

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	Accelerating dissipative particle dynamics with multiple GPUs
	Wang, Sibo 1,2; Xu, Junbo 1; Wen, Hao 1
刊名	COMPUTER PHYSICS COMMUNICATIONS
	2013-11-01
卷号	184 期号:11 页码:2454-2461
关键词	Graphic processing unit CUDA Dissipative particle dynamics Lubricant Dispersant
英文摘要	Dissipative particle dynamics (DPD) simulation is implemented on multiple GPUs by using NVIDIA's Compute Unified Device Architecture (CUDA) in this paper. Data communication between each GPU is executed based on the POSIX thread. Compared with the single-GPU implementation, this implementation can provide faster computation speed and more storage space to perform simulations on a significant larger system. In benchmark, the performance of GPUs is compared with that of Material Studio running on a single CPU core. We can achieve more than 90x speedup by using three C2050 GPUs to perform simulations on an 80 * 80 * 80 system. This implementation is applied to the study on the dispersancy of lubricant succinimide dispersants. A series of simulations are performed on lubricant-soot-dispersant systems to study the impact factors including concentration and interaction with lubricant on the dispersancy, and the simulation results are agreed with the study in our present work. (C) 2013 Elsevier B.V. All rights reserved.
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 ; MESOSCOPIC SIMULATION ; POLYMER
收录类别	SCI
语种	英语
WOS记录号	WOS:000324664100011
公开日期	2015-05-27
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/13689]
专题	过程工程研究所_研究所（批量导入）
作者单位	1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Wang, Sibo,Xu, Junbo,Wen, Hao. Accelerating dissipative particle dynamics with multiple GPUs[J]. COMPUTER PHYSICS COMMUNICATIONS,2013,184(11):2454-2461.
APA	Wang, Sibo,Xu, Junbo,&Wen, Hao.(2013).Accelerating dissipative particle dynamics with multiple GPUs.COMPUTER PHYSICS COMMUNICATIONS,184(11),2454-2461.
MLA	Wang, Sibo,et al."Accelerating dissipative particle dynamics with multiple GPUs".COMPUTER PHYSICS COMMUNICATIONS 184.11(2013):2454-2461.