GPAW
  • Features and algorithms
  • Installation
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    • Platforms and architectures
      • DTU GBar
      • Fedora
      • openSUSE
      • Ubuntu 18.04+
      • Sophia cluster at HPC Risø
      • Niflheim
      • Using a pre-installed GPAW at Niflheim
      • Building GPAW in a Python venv on Niflheim
      • Running GPU-GPAW with A100 nodes on Niflheim
      • SUNCAT
      • akka.hpc2n.umu.se
      • batman.chem.jyu.fi
      • Brown University (ccv.brown.edu)
      • carbon
      • davinci.ssci.liv.ac.uk
      • huygens.sara.nl (IBM Power6, Infiniband, ESSL)
      • jureca @ FZ-Jülich
      • justus2
      • juwels @ FZ-Jülich
      • monolith
      • nemo
      • sepeli.csc.fi
      • supernova
      • uranus
      • odyssey.fas.harvard.edu
      • Mahti (mahti.csc.fi)
      • Puhti (puhti.csc.fi)
      • WSL Ubuntu 20.04+
      • Homebrew
      • Anaconda on MacOS
      • The lumi.csc.fi supercomputer
      • perlmutter.nersc.gov (Cray EX)
      • louhi.csc.fi (Cray XT4/XT5)
      • sisu.csc.fi (Cray XC30)
      • hermit.hww.de (Cray XE6)
    • Requirements
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    • Run a simple test calculation
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GPAW
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Platforms and architectures

Linux:

  • DTU GBar
  • Fedora
  • openSUSE
  • Ubuntu 18.04+
  • Sophia cluster at HPC Risø
  • Niflheim
  • Using a pre-installed GPAW at Niflheim
  • Building GPAW in a Python venv on Niflheim
  • Running GPU-GPAW with A100 nodes on Niflheim
  • SUNCAT
  • akka.hpc2n.umu.se
  • batman.chem.jyu.fi
  • Brown University (ccv.brown.edu)
  • carbon
  • davinci.ssci.liv.ac.uk
  • huygens.sara.nl (IBM Power6, Infiniband, ESSL)
  • jureca @ FZ-Jülich
  • justus2
  • juwels @ FZ-Jülich
  • monolith
  • nemo
  • sepeli.csc.fi
  • supernova
  • uranus
  • odyssey.fas.harvard.edu
  • Mahti (mahti.csc.fi)
  • Puhti (puhti.csc.fi)

WSL:

  • WSL Ubuntu 20.04+

MacOSX:

  • Homebrew
  • Anaconda on MacOS

Cray:

  • The lumi.csc.fi supercomputer
  • perlmutter.nersc.gov (Cray EX)
  • louhi.csc.fi (Cray XT4/XT5)
  • sisu.csc.fi (Cray XC30)
  • hermit.hww.de (Cray XE6)
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