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Accelerating dissipative particle dynamics with multiple GPUs
Wang, Sibo1,2; Xu, Junbo1; Wen, Hao1
AbstractDissipative 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.
KeywordGraphic Processing Unit Cuda Dissipative Particle Dynamics Lubricant Dispersant
WOS HeadingsScience & Technology ; Technology ; Physical Sciences
Indexed BySCI
WOS Research AreaComputer Science ; Physics
WOS SubjectComputer Science, Interdisciplinary Applications ; Physics, Mathematical
WOS IDWOS:000324664100011
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Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.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
Recommended Citation
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.
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