This title appears in the Scientific Report :
2019
Examining performance portability with Kokkos for an Ewald Sum Coulomb Solver
Examining performance portability with Kokkos for an Ewald Sum Coulomb Solver
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 contribut...
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Personal Name(s): | Halver, Rene |
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Meinke, Jan (Corresponding author) / Sutmann, Godehard | |
Contributing Institute: |
Jülich Supercomputing Center; JSC |
Imprint: |
2019
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Conference: | 13th International Conference on Parallel Processing and Applied Mathematics, Białystock (Poland), 2019-09-08 - 2019-09-11 |
Document Type: |
Conference Presentation |
Research Program: |
Computational Science and Mathematical Methods |
Publikationsportal JuSER |
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 |