• DocumentCode
    652130
  • Title

    MPI Parallelization of Innovative DPD Thermostats

  • Author

    Goga, Nicolae ; Berendsen, H. ; Baoukina, Svetlana ; Moga, S.A. ; Dragoi, George ; Hadar, A. ; Paviloiu, B.

  • Author_Institution
    Mol. Dynamics Group, Univ. of Groningen, Groningen, Netherlands
  • fYear
    2013
  • fDate
    9-11 Sept. 2013
  • Firstpage
    476
  • Lastpage
    476
  • Abstract
    Presents the parallelization of a new algorithm - thermostat - for molecular dynamics simulations. It should be taken into account that molecular dynamics simulations are time consuming. In some cases the running time varies from days to weeks and even months. Therefore, parallelization is one solution for reducing the execution time. The abstract discusses the new algorithm, the main characteristics of the MPI parallelization of the new algorithm and simulation performances.
  • Keywords
    application program interfaces; message passing; molecular dynamics method; parallel processing; physics computing; MPI parallelization; dissipative particle dynamics; execution time reduction; innovative DPD thermostats; molecular dynamics simulations; Abstracts; Dynamics; Educational institutions; Heuristic algorithms; Lipidomics; Mathematical model; Thermostats; Molecular Dynamics; Parallelisation. Complexity;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Healthcare Informatics (ICHI), 2013 IEEE International Conference on
  • Conference_Location
    Philadelphia, PA
  • Type

    conf

  • DOI
    10.1109/ICHI.2013.64
  • Filename
    6680512
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=652130