Multi-axis decomposition of density functional program for strong scaling up to 82,944 nodes on the K computer: compactly folded 3D-FFT communicators in the 6D torus network

DOI10.1016/J.CPC.2019.04.008OpenAlexW2941016569WikidataQ128028895 ScholiaQ128028895MaRDI QIDQ2696536

Jun Nara, Takahiro Yamasaki, Takahisa Ohno, Akiyoshi Kuroda, Tsuyoshi Uda, Kazuo Minami, Junichiro Koga, Toshihiro Kato

Publication date: 14 April 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2019.04.008

zbMATH Keywords

electronic structurefirst-principles simulationsK computermulti-axis decompositionmulti-dimensional communication optimization

Mathematics Subject Classification ID

Computer science (68-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• Electronic Structure

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