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- W2332395314 abstract "Calculation efficiency of molecular dynamics simulation performed on GPU and CPU is discussed focusing on methodology of neighboring atom search such as book keeping and domain decomposition methods. The CUDA architecture is employed to develop a source code of the molecular dynamics simulation on the GPU consisting of the many-body potential for metals. It is confirmed from the calculation on relaxation of bcc crystal of iron that the order of calculation cost is about one for the domain decomposition method, whereas it depends on the temperature in the case of book keeping method. Performance of the relaxation calculation on the GPU achieves about 10 times the speed of a single CPU." @default.
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- W2332395314 date "2012-01-01" @default.
- W2332395314 modified "2023-09-23" @default.
- W2332395314 title "Accelerating Molecular Dynamics Simulation Performed on GPU" @default.
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- W2332395314 doi "https://doi.org/10.2320/jinstmet.76.462" @default.
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