Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture
- Autores: Nikolskii V.1,2, Stegailov V.1,2
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Afiliações:
- National Research University Higher School of Economics
- Joint Institute for High Temperatures
- Edição: Volume 39, Nº 9 (2018)
- Páginas: 1228-1238
- Seção: Part 1. Special issue “High Performance Data Intensive Computing” Editors: V. V. Voevodin, A. S. Simonov, and A. V. Lapin
- URL: https://journals.rcsi.science/1995-0802/article/view/203129
- DOI: https://doi.org/10.1134/S1995080218090159
- ID: 203129
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Resumo
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.
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Sobre autores
V. Nikolskii
National Research University Higher School of Economics; Joint Institute for High Temperatures
Autor responsável pela correspondência
Email: vnikolskiy@hse.ru
Rússia, ul. Myasnitskaya 20, Moscow, 101000; ul. Izhorskaya 13, str. 2, Moscow, 125412
V. Stegailov
National Research University Higher School of Economics; Joint Institute for High Temperatures
Email: vnikolskiy@hse.ru
Rússia, ul. Myasnitskaya 20, Moscow, 101000; ul. Izhorskaya 13, str. 2, Moscow, 125412