ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Publications

Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability

R. Halver, J. H. Meinke, G. Sutmann.

Journal of Parallel and Distributed Computing, 138, 48-54, (2020)

Abstract
We have implemented the computation of Coulomb interactions in particle systems using theperformance portable C++ framework Kokkos. For the computation of the electrostatic interactionsin particle systems we used an Ewald summation. This implementation we consider as a basis for aperformance portability study. As target architectures we used Intel CPUs, including Intel Xeon Phi,as well as Nvidia GPUs. To provide a measure for performance portability we compute the number ofneeded operations and required cycles, i.e. runtime, and compare these with the measured runtime.Results indicate a similar quality of performance portability on all investigated architectures.


Keyword(s): Performance portability; Kokkos; Particle algorithms; Electrostatics; Performance modelling
Cite as: https://www.sciencedirect.com/science/article/pii/S0743731519305040?via%3Dihub
DOI: 10.1016/j.jpdc.2019.12.003
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