/VASP-GPU-Benchmarking

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

Primary LanguagePython

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 the CUDA GPU port of VASP on Balena.
  • Scripts : Scripts used for benchmarking.