This title appears in the Scientific Report :
2020
Please use the identifier:
http://dx.doi.org/10.1007/978-3-030-43222-5_4 in citations.
Please use the identifier: http://hdl.handle.net/2128/25831 in citations.
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): | Sutmann, Godehard (Corresponding author) |
---|---|
Meinke, Jan / Halver, Rene | |
Contributing Institute: |
Jülich Supercomputing Center; JSC |
Imprint: |
Cham
Springer
2020
|
Physical Description: |
35-45 |
ISBN: |
978-3-030-43221-8 |
DOI: |
10.1007/978-3-030-43222-5_4 |
Conference: | Parallel Processing and Applied Mathematics, Bialystok (Poland), 2019-09-08 - 2019-09-11 |
Document Type: |
Contribution to a book Contribution to a conference proceedings |
Research Program: |
Computational Science and Mathematical Methods |
Series Title: |
Lecture Notes in Computer Science
12044 |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/25831 in citations.
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. |