Domain-decomposition Parallelization for Molecular Dynamics Algorithm with Short-ranged Potentials on Epiphany Architecture

Abstract

Many-core processor architecture is a promising paradigm for thedevelopment of modern supercomputers. In this paper, we consider theparallel implementation of the generic molecular dynamics algorithmfor the many-core Epiphany architecture. This architectureimplements a new type of many-core processor composed of 16 simplecores connected by a network on chip with mesh topology. Newapproaches to parallel programming are required to deploy thisprocessor. We use LAMMPS running on one 64-bit ARMv8 Cortex-A53 CPUcore for comparing the accuracy of the results of the presentedvariant of the molecular dynamics algorithm for Epiphany and itscomputational efficiency

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