Plasma and Fusion Research

Volume 15, 1203085 (2020)

Rapid Communications


Tuning of Density Functional Theory Simulation on Vector Processor System - Plasma Simulator Raijin -
Atsushi M. ITO, Arimichi TAKAYAMA, Osamu WATANABE1), Vijendra SINGH2), Shubham TYAGI2) and Shashank S. SINGH2)
National Institute for Fusion Science, National Institutes of Natural Sciences, 322-6 Oroshi-cho, Toki 509-5292, Japan
1)
NEC Corporation, 5-7-1 Shiba, Minato-ku, Tokyo 108-8001, Japan
2)
NEC Technologies India Private Limited, Plot No. 20 & 21, Sector 135, Nodia, U.P.-201304, India
(Received 29 September 2020 / Accepted 19 October 2020 / Published 19 November 2020)

Abstract

We rapidly report the benchmark of density functional theory simulation on the Plasma Simulator composed of vector processor. The improved OpenMX code on the SX-Aurora TSUBASA of the vector processor achieved performance higher than the Intel Xeon Gold of the scalar processor.


Keywords

simulation, vectorization, density functional theory

DOI: 10.1585/pfr.15.1203085


References

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