ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Publications

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

R. Wyrzykowski, E. Deelman, J. Dongarra, K. Karczewski,

Parallel Processing and Applied Mathematics, Springer International Publishing, 12044, 35-45, (2020)

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.


Keyword(s): programming model; accelerator; performance modeling; long-range interaction
Cite as: https://www.springer.com/gp/book/9783030432218
DOI: 10.1007/978-3-030-43222-5_4
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