Student cluster competition 2017, Team University of Texas at Austin/Texas State University: Reproducing vectorization of the Tersoff multi-body potential on the Intel Skylake and NVIDIA V100 architectures

J Sullivan and C Weir and A Reichert and RT Evans and WC Proctor and N Thorne, PARALLEL COMPUTING, 79, 30-35 (2018).

DOI: 10.1016/j.parco.2018.08.003

This paper satisfies the reproducibility challenge of the Student Cluster Competition at SC17.(1) We attempt to reproduce the results of a vectorized code for the Tersoff multi-body potential kernel of the molecular dynamics code Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). In addition, we outline a series of performance measurements across a number of different processing architectures. We investigated accuracy, optimization, performance, and scaling with our Intel CPU and NVIDIA GPU based cluster. (C) 2018 Elsevier B.V. All rights reserved.

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