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Intro to HPC for Life Scientists: Mapping computation to HPC hardware & GPU accelerators and heterogeneous architectures

Version 3 2023-03-21, 10:05
Version 2 2023-03-21, 10:03
Version 1 2023-03-20, 13:39
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posted on 2023-03-21, 10:05 authored by Szilárd PállSzilárd Páll, Berk Hess

Lecture slides and exercises for BioExcel-PerMedCoE Introduction to HPC for Life Scientists.

  • Mapping computation to HPC hardware: molecular simulation (lecture)
  • GPU accelerators and heterogeneous architectures (lecture)
  •  Introduction to HPC: molecular dynamics simulations with GROMACS (exercises)


Barcelona, March 8 2023

Funding

BioExcel Centre of Excellence for ComputationalBiomolecular Research

European Commission

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HPC/Exascale Centre of Excellence in Personalised Medicine - PerMedCoE

European Commission

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