Molecular dynamics on distributed-memory MIMD computers with load balancing

Y. F. Deng, R. A. McCoy, R. B. Marr, R. F. Peierls, O. Yasar

Research output: Contribution to journalArticlepeer-review


We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.

Original languageEnglish (US)
Pages (from-to)37-41
Number of pages5
JournalApplied Mathematics Letters
Issue number3
StatePublished - May 1995


  • Dynamic load balance
  • Lennard-Jones potential
  • Line-cell algorithm
  • Molecular dynamics
  • Parallel computing

ASJC Scopus subject areas

  • Applied Mathematics


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