Examining Performance Portability with Kokkos for an Ewald Sum Coulomb Solver

Sutmann, Godehard; Meinke, Jan; Halver, Rene

doi:10.1007/978-3-030-43222-5_4

Contribution to a conference proceedings/Contribution to a book

FZJ-2020-03797

Examining Performance Portability with Kokkos for an Ewald Sum Coulomb Solver

Sutmann, G. (Corresponding author)FZJ* ; Meinke, J.FZJ* ; Halver, R.FZJ*

2020
Springer Cham
ISBN: 978-3-030-43221-8

Parallel Processing and Applied Mathematics, PPAM19, Bialystok, Poland, 8 Sep 2019 - 11 Sep 2019 Cham : Springer, Lecture Notes in Computer Science 12044, 35-45 (2020) [10.1007/978-3-030-43222-5_4]

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Please use a persistent id in citations: http://hdl.handle.net/2128/25831 doi:10.1007/978-3-030-43222-5_4

Abstract: We have implemented the computation of Coulomb interactions in particle systems using the performance portable C++ framework Kokkos. Coulomb interactions are evaluated with an Ewald-sum-based solver, where the interactions are split into long- and short-range contributions. The short-range contributions are calculated using pair-wise contributions of particles while long-range interactions are calculated using Fourier sums. We evaluate the performance portability of the implementation on Intel CPUs, including Intel Xeon Phi, and Nvidia GPUs.

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