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Article

Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture

Lobachevskii Journal of Mathematics. 2018. Vol. 39. No. 9. P. 1228-1238.

Many-core processor architecture is a promising paradigm for the development of modern supercomputers. In this paper, we consider the parallel implementation of the generic molecular dynamics algorithm for the many-core Epiphany architecture. This architecture implements a new type of many-core processor composed of 16 simple cores connected by a network on chip with mesh topology. New approaches to parallel programming are required to deploy this processor. We use LAMMPS running on one 64-bit ARMv8 Cortex-A53 CPU core for comparing the accuracy of the results of the presented variant of the molecular dynamics algorithm for Epiphany and its computational efficiency.