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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)

DOI: 10.1016/j.jpdc.2019.12.003

Download: BibTEX

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.

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{"type":"article", "name":"r.halver20204", "author":"R. Halver and J. H. Meinke and G. Sutmann", "title":"Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability", "journal":"Journal of Parallel and Distributed Computing", "volume":"138", "OPTnumber":"", "OPTmonth":"4", "year":"2020", "OPTpages":"48-54", "OPTnote":"", "OPTkey":"performance portability; Kokkos; particle algorithms; electrostatics; performance modelling", "DOI":"10.1016/j.jpdc.2019.12.003"}
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