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A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster

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vasp_gpu Benchmarking

A project to benchmark the performance of the GPU-enabled versions of the Vienna ab initio Simulation Package (VASP) code on the University of Bath's Balena HPC cluster.

Contents

  • Compilation : Instructions for building vasp_gpu on Balena.
  • Scripts : Scripts used for benchmarking.

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A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster

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  • Python 94.3%
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