Journal Article FZJ-2020-03798

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

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2020
Elsevier Amsterdam [u.a.]

Journal of parallel and distributed computing 138, 48 - 54 () [10.1016/j.jpdc.2019.12.003]

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Abstract: We have implemented the computation of Coulomb interactions in particle sys-tems using the performance portable C++ framework Kokkos. For the com-putation of the electrostatic interactions in particle systems we used an Ewaldsummation. This implementation we consider as a basis for a performanceportability study. As target architectures we used Intel CPUs, including In-tel Xeon Phi, as well as Nvidia GPUs. To provide a measure for performanceportability we compute the number of needed operations and required cycles,i.e. runtime, and compare these with the measured runtime. Results indicate asimilar quality of performance portability on all investigated architectures.

Classification:

Contributing Institute(s):
  1. Jülich Supercomputing Center (JSC)
Research Program(s):
  1. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)

Appears in the scientific report 2020
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Medline ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection
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 Record created 2020-10-05, last modified 2021-01-30