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 Научная публикация

Конференция

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

Журнал

CEUR Workshop Proceedings
ISSN: 1613-0073

Вых. Данные

Год: 2019, Том: 2426, Страницы: 24-29 Страниц : 6

Авторы

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

Организации

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

Информация о финансировании (3)

1	Российский фонд фундаментальных исследований	17-02-00279
2	Российский фонд фундаментальных исследований	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
РИНЦ:	41634001

БД	Цитирований
Scopus	3