Conference Presentation (After Call)

FZJ-2020-00556

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Examining performance portability with Kokkos for an Ewald Sum Coulomb Solver

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

2019

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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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)
2. Simulation and Data Laboratory Complex Particle Systems (SDLCPS)

Appears in the scientific report 2019

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