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Dataset . 2022
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2022
License: CC BY
Data sources: ZENODO
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ZENODO
Dataset . 2022
License: CC BY
Data sources: Datacite
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Tuning VASP (ver. 6.2.1) performance on AMD supercomputers

Research datakeyboard_double_arrow_right Dataset 13 Apr 2022 English Publisher:Zenodo
Authors: Dominik, Legut; Sergiu, Arapan;

doi: 10.5281/zenodo.6458062 , 10.5281/zenodo.6458061

Tuning VASP (ver. 6.2.1) performance on AMD supercomputers

Abstract

Here are provided several test results for the VASP code version 6.2.1 on Karolina supercomputer (karolina.it4i.cz) at IT4Innovations, VSB - Technical University of Ostrava, Czech Republic (it4i.cz) compiled with different compilers, compiler options, and numerical libraries. Tests have been done for two small systems (folders SMALL-1 and SMALL-2), and two average systems (folders AVERAGE-1 and AVERAGE-2).

This work was supported by the ERDF in the IT4Innovations national supercomputing center - path to exascale project (CZ.02.1.01/0.0/0.0/16_013/0001791) within the OPRDE and the project e-INFRA CZ (ID:90140) by the Ministry of Education, Youth and Sports of the Czech Republic.

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Keywords

VASP code, ab initio, DFT calculations

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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