An adaptive load balancing method for parallel molecular dynamics simulations

Yuefan Deng, Ronald F. Peierls, Carlos Rivera

Research output: Contribution to journalArticlepeer-review


We describe an adaptive method for achieving load balance in parallel computations simulating phenomena which are distributed over a spatially extended region, but are local in nature. We have tested the method on standard short-ranged parallel molecular dynamics calculations. The performance gain we observe confirms the value of the method for this type of calculation. We discuss possible generalizations of the method, for example, to higher dimensions.

Original languageEnglish (US)
Pages (from-to)250-263
Number of pages14
JournalJournal of Computational Physics
Issue number1
StatePublished - Jun 10 2000


  • Load balance
  • Molecular dynamics
  • Parallel computing

ASJC Scopus subject areas

  • Numerical Analysis
  • Modeling and Simulation
  • Physics and Astronomy (miscellaneous)
  • General Physics and Astronomy
  • Computer Science Applications
  • Computational Mathematics
  • Applied Mathematics


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