Nazim Dugan, Luigi Genovese, Stefan Goedecker
A 3-dimensional GPU Poisson solver is developed for all possible combinations of free and periodic boundary conditions along the three directions. It is benchmarked for various grid sizes and di?erent BCs and a significant performance gain is observed for problems including one or more free BCs. The GPU Poisson solver is also benchmarked against two di?erent CPU implementations of the same method and a significant amount of acceleration of the computation is observed with the GPU version.
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http://arxiv.org/abs/1211.5244
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