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

Vyacheslav E. Lozhnikov, Alexander V. Mamonov, Vadim O. Borzilov, Marina V. Mamonova, Pavel V. Prudnikov, Aleksei A. Sorokin, Georgy G. Baksheev

Research output: Contribution to journalConference articlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)24-29
Number of pages6
JournalCEUR Workshop Proceedings
Volume2426
Publication statusPublished - 1 Jan 2019
Event5th International Conference on Information Technologies and High-Performance Computing, ITHPC 2019 - Khabarovsk, Russian Federation
Duration: 16 Sep 201919 Sep 2019

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