Massively parallel Wang Landau sampling on multiple GPUs

Journal Article · Sun Jan 01 00:00:00 EST 2012 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2012.02.023· OSTI ID:1049162

Yin, Junqi ^[1]; Landau, D. P. ^[2]

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1. ORNL
2. UGA

Wang Landau sampling is implemented on the Graphics Processing Unit (GPU) with the Compute Unified Device Architecture (CUDA). Performances on three different GPU cards, including the new generation Fermi architecture card, are compared with that on a Central Processing Unit (CPU). The parameters for massively parallel Wang Landau sampling are tuned in order to achieve fast convergence. For simulations of the water cluster systems, we obtain an average of over 50 times speedup for a given workload.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1049162
• Journal Information: Computer Physics Communications, Vol. 183, Issue 8; ISSN 0010-4655
• Country of Publication: United States
• Language: English

Related Subjects

99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
ARCHITECTURE
CONVERGENCE
PROCESSING
SAMPLING
WATER