• DocumentCode
    17973
  • Title

    An SPMD-Like Algorithm for Parallelizing Molecular Dynamics Using OpenMP

  • Author

    Mingze Bai ; Shixin Sun ; Hong Tang ; Yusheng Dou ; Lo, Glenn V.

  • Author_Institution
    Univ. of Electron. Sci. & Technol. of China, Chengdu, China
  • Volume
    15
  • Issue
    4
  • fYear
    2013
  • fDate
    July-Aug. 2013
  • Firstpage
    48
  • Lastpage
    56
  • Abstract
    The efficiency and scalability of early efforts to parallelize molecular dynamics calculations on shared-memory systems using OpenMP have been limited by attempts to avoid data race. Recent work has produced better performance, but involves significant revisions to the serial code. A new algorithm addresses these limitations.
  • Keywords
    molecular dynamics method; parallel processing; physics computing; shared memory systems; OpenMP; SPMD-like algorithm; molecular dynamics parallelization; shared-memory systems; single-program multiple-data parallelization; Biological system modeling; Computational modeling; Heuristic algorithms; Message systems; Molecular computing; Multicore processing; OpenMP; SPMD-like; molecular dynamics; parallel computing; single program multiple data; spatial decomposition;
  • fLanguage
    English
  • Journal_Title
    Computing in Science & Engineering
  • Publisher
    ieee
  • ISSN
    1521-9615
  • Type

    jour

  • DOI
    10.1109/MCSE.2012.66
  • Filename
    6216340
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=17973