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Long-range interactions and parallel scalability in molecular simulations.

Michael PatraMarja T. HyvönenEmma FalckMohsen Sabouri-GhomiIlpo VattulainenMikko Karttunen
Published in: Comput. Phys. Commun. (2007)
Keyphrases
  • long range interactions
  • long range
  • molecular dynamics
  • pc cluster
  • molecular dynamics simulations
  • parallel processing
  • map reduce
  • multi modal
  • shared memory