Performance and profiling data of plane-wave calculations in quantum ESPRESSO simulation on three supercomputing centres.

Marurngsith, Worawan; Waiphinit, Supakiet; Rosmode, Wiraporn; Bavontaweepanya, Ruchipas; Fan, Jiaxin

Marurngsith, Worawan; Waiphinit, Supakiet; Rosmode, Wiraporn; Bavontaweepanya, Ruchipas; Fan, Jiaxin.

Afiliação

Marurngsith W; Department of Computer Science, Faculty of Science and Technology, Thammasat University (Lampang Campus) 248 M.2 Hang Chat, Lampang 52190 Thailand.
Waiphinit S; Department of Computer Science, Faculty of Science and Technology, Thammasat University (Lampang Campus) 248 M.2 Hang Chat, Lampang 52190 Thailand.
Rosmode W; Department of Computer Science, Faculty of Science and Technology, Thammasat University (Lampang Campus) 248 M.2 Hang Chat, Lampang 52190 Thailand.
Bavontaweepanya R; Thammasat University Research Unit in Quantum Technology, Thammasat University (Rangsit Campus) 99 Khlong Luang, Pathum Thani 12120 Thailand.
Fan J; National Computational Infrastructure, Australia.

Data Brief ; 50: 109614, 2023 Oct.

Article em En | MEDLINE | ID: mdl-37823065

Palavras-chave

Catalytic reaction; High performance computing; Message Passing Interface; Parallel and distributed computing; Performance evaluation; Profiling; Quantum physics simulation; Student competition

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article