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Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

Mathialakan ThavappiragasamWael R. ElwasifAda Sedova
Published in: CCGRID (2022)
Keyphrases
  • least squares
  • gpu accelerated
  • distributed computing
  • general purpose
  • fine grained