Estimating the performance of ab initio calculation by VASP on openpower high performance system

Estimating the performance of ab initio calculation by VASP on openpower high performance system Full article

Conference

5th International Conference on Information Technologies and High-Performance Computing
16-19 Sep 2019 , Хабаровск

Journal

CEUR Workshop Proceedings
ISSN: 1613-0073

Output data

Year: 2019, Volume: 2426, Pages: 24-29 Pages count : 6

Authors

Lozhnikov V.E. ¹ , Mamonov A.V. ¹ , Borzilov V.O. ¹ , Prudnikov P.V. ¹ , Sorokin A.A. ² , Baksheev G.G. ³

Affiliations

1	Department of Theoretical Physics, Omsk State University
2	Computing Center of Far-Eastern Branch, Russian Academy of Sciences
3	Novosibirsk State University

Funding (3)

1	Russian Foundation for Basic Research	17-02-00279
2	Russian Foundation for Basic Research	18-42-550003
3	Совет по грантам Президента РФ	МД-6868.2018.2

In this work we compare the performance of Pascal P100 GPUs vs POWER8 CPU on OpenPOWER HPC system by VASP calculation of energy and magnetic characteristics of Fe/Cu(111)/Fe and Co/Cu(100)/Co multilayer magnetic nanostructures. We revealed that the VASP code demonstrates a maximum performance on OpenPOWER System with the GPUs.

Lozhnikov V.E. , Mamonov A.V. , Borzilov V.O. , Prudnikov P.V. , Sorokin A.A. , Baksheev G.G.
Estimating the performance of ab initio calculation by VASP on openpower high performance system
CEUR Workshop Proceedings. 2019. V.2426. P.24-29. Scopus РИНЦ

Scopus:	2-s2.0-85071459362
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