Parallel multi-scale computation using the message passing interface

  • B. Fox
  • , P. Liu
  • , C. Lu
  • , H. P. Lee

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

A sequential three-dimensional hybrid molecular-dynamics (MD)/finite-element (FE) code to perform continuum and atomistic multi-scale modeling and computation, has been parallelized using the message passing interface (MPI) library. A master-slave divide-and-conquer approach, emphasizing the functionality and robustness of the code, is implemented through loop parallelism and has reduced execution time: yielding a speedup of greater than 3 and has shown potential for further speedup. The smoothness of the stress distribution across the overlapping region between the continuum domain and the atomistic domain demonstrates the suitability of this method to nanostructure modeling.

Original languageEnglish
Title of host publicationProceedings - 2003 International Conference on Parallel Processing Workshops, ICPPW 2003
EditorsChua-Huang Huang, J. Ramanujam
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages199-204
Number of pages6
ISBN (Electronic)0769520189
DOIs
StatePublished - 2003
Externally publishedYes
Event2003 International Conference on Parallel Processing Workshops, ICPPW 2003 - Kaohsiung, Taiwan, Province of China
Duration: 6 Oct 20039 Oct 2003

Publication series

NameProceedings of the International Conference on Parallel Processing Workshops
Volume2003-January
ISSN (Print)1530-2016

Conference

Conference2003 International Conference on Parallel Processing Workshops, ICPPW 2003
Country/TerritoryTaiwan, Province of China
CityKaohsiung
Period6/10/039/10/03

Keywords

  • Computational modeling
  • Computer interfaces
  • Concurrent computing
  • Finite element methods
  • Iron
  • Libraries
  • Master-slave
  • Message passing
  • Parallel processing
  • Robustness

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