• DocumentCode
    1507017
  • Title

    Parallel FP-LAPW for distributed-memory machines

  • Author

    Dohmen, Renate ; Pichlmeier, Jakob ; Petersen, Max ; Wagner, Frank ; Scheffler, Matthias

  • Author_Institution
    Rechenzentrum Garching, Germany
  • Volume
    3
  • Issue
    4
  • fYear
    2001
  • Firstpage
    18
  • Lastpage
    29
  • Abstract
    To meet the high computing-power and memory requirements of applying the full-potential linearized augmented plane wave method to complex problems, the authors have parallelized the FP-LAPW code WIEN97 for distributed-memory machines. They then implemented the parallel code on a Cray T3E
  • Keywords
    APW calculations; Cray computers; chemistry computing; distributed memory systems; mathematics computing; parallel programming; Cray T3E; FP-LAPW code; WIEN97; computational chemistry; distributed memory machines; full-potential linearized augmented plane wave method; high computing-power; memory requirements; parallel code; Atomic measurements; Computer architecture; Concurrent computing; Distributed computing; Electrons; Graphics; Magnetic cores; Silicon; Tin; Wave functions;
  • fLanguage
    English
  • Journal_Title
    Computing in Science & Engineering
  • Publisher
    ieee
  • ISSN
    1521-9615
  • Type

    jour

  • DOI
    10.1109/5992.931900
  • Filename
    931900
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=1507017