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v19.03.0

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@ltalirz ltalirz released this 04 Mar 00:20

This release moves from Ubuntu 16.04 to 18.04 and from the torque to the slurm scheduler.

Installation instructions

Get Quantum Mobile running on your computer in three simple steps:

  1. Download virtual machine image (3.6G)
    http://bit.ly/2NEedBe
    MD5 hash: 146b81c73e48a3bc884875be2cb6ac27
  2. Install Virtual Box 6.0.4 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (11G)
    File => Import Appliance

Note: username: max, password: moritz

Changelog

Improvements

  • add link to FAQ on desktop
  • switch from torque to slurm scheduler
  • fix bug with slurm nodes not being up

Software updates

  • Ubuntu 18.04 LTS
  • Quantum Espresso v6.3
  • cp2k v6.1
  • yambo v4.3.2
  • fleur 0.27 MaXR3
  • siesta v4.0.2
  • Wannier90 v3.0.0
  • aiida-core v0.12.3
  • aiidalab v19.03.0

Build process

  • ansible 2.7.5
  • Vagrant v2.2.4
    • vbguest v0.17.1
    • bento/ubuntu-18.04 v201812.27.0
  • Virtualbox v6.0.4