Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture.

N.A. Romero, C. Glinsvad, A.H. Larsen, Jussi Enkovaara, S. Shende, V.A. Morozov, J.J. Mortensen

Research output: Contribution to journalArticleScientificpeer-review

4 Citations (Scopus)
Original languageEnglish
Pages (from-to)69-93
JournalConcurrency and Computation: Practice and Experience
Volume27
Issue number1
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Keywords

  • First principles electronic structure calculation

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