We present a Graphics Processing Unit (GPU) accelerated simulations of first principles electronic structure calculations. The FFT, which is the most time-consuming part, is about 10 times accelerated. As the result, the total computation time of a first principles calculation is reduced to 15 percent of that of the CPU. © 2010 IOP Publishing Ltd.
CITATION STYLE
Tomono, H., Aoki, M., Iitaka, T., & Tsumuraya, K. (2010). GPU based acceleration of first principles calculation. In Journal of Physics: Conference Series (Vol. 215). https://doi.org/10.1088/1742-6596/215/1/012121
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