GPU based acceleration of first principles calculation
School of Science and Technology, Meiji University, Kawasaki, Kanagawa 214-8571, Japan
Journal of Physics Conference Series (2010) Volume: 215, Pages: 012121
@conference{tomono2010gpu,
title={GPU based acceleration of first principles calculation},
author={Tomono, H. and Aoki, M. and Iitaka, T. and Tsumuraya, K.},
booktitle={Journal of Physics: Conference Series},
volume={215},
pages={012121},
year={2010},
organization={IOP Publishing}
}
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.
March 16, 2011 by hgpu
