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Performance Characterization of a Molecular Dynamics Code on PC Clusters: Is There Any Easy Parallelism in CHARMM?.

Michela TauferEgon PerathonerAndrea CavalliAmedeo CaflischThomas Stricker
Published in: IPDPS (2002)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • massively parallel
  • molecular dynamics simulations
  • database
  • parallel computing
  • protein folding
  • databases
  • data processing
  • shared memory