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An efficient MPI/OpenMP parallelization of the Hartree-Fock-Roothaan method for the first generation of Intel® Xeon Phi™ processor architecture.

Vladimir MironovAlexander A. MoskovskyMichael D'MelloYuri Alexeev
Published in: Int. J. High Perform. Comput. Appl. (2019)
Keyphrases
  • pairwise
  • parallel implementation
  • information systems
  • parallel processing
  • similarity measure
  • high speed
  • cost effective
  • message passing interface