期刊
JOURNAL OF COMPUTATIONAL PHYSICS
卷 221, 期 2, 页码 799-804出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2006.06.039
关键词
graphics processing unit; molecular dynamics; thermal conductivity
Molecular dynamics (MD) simulations have become a powerful tool for elucidating complex physical phenomena. However, MD method is very time-consuming. This paper presents a method to accelerate computation of MD simulation. The acceleration is achieved by take advantage of modern graphics processing units (GPU). As an example, the thermal conductivities of solid argon were calculated with the GPU-based MD algorithm. The test results indicated that the GPU-based implementation is faster than that of CPU-based one. The speedup of a factor between 10 and I I is realized. (c) 2006 Elsevier Inc. All rights reserved.
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