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

摘要

We have implemented the computation of Coulomb interactions in particle systems using the performance portable C++ framework Kokkos. For the computation of the electrostatic interactions in particle systems we used an Ewald summation. This implementation we consider as a basis for a performance 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 of needed 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.