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Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations.

Vladimir V. StegailovEkaterina DlinnovaTimur Z. IsmagilovMikhail KhalilovNikolay KondratyukDmitry MakagonAlexander SemenovAlexei SimonovGrigory S. SmirnovAlexey Timofeev
Published in: Int. J. High Perform. Comput. Appl. (2019)
Keyphrases
  • molecular dynamics
  • massively parallel
  • building blocks
  • high performance computing
  • scientific data
  • database
  • floating point