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Algorithm to minimize MPI communications in the parallelized fast multipole method combined with molecular dynamics calculations.

Yoshimichi AndohShin'ichi IchikawaTatsuya SakashitaNoriyuki YoshiiSusumu Okazaki
Published in: J. Comput. Chem. (2021)
Keyphrases
  • dynamic programming
  • parallel implementation
  • theoretical analysis
  • computational complexity
  • learning algorithm
  • np hard
  • mathematical model
  • databases
  • vector field
  • high performance computing