v18.04.0

Installation instructions

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

1. Download virtual machine image (4.2G)
   http://bit.ly/2Hz0mvp
   MD5 hash: faef3ee4090d4343541749f705a6dd44
2. Install Virtual Box 5.2.8 or later
   www.virtualbox.org
3. Import virtual machine image into Virtualbox (11G)
   File => Import Appliance

Note: username: max, password: moritz

Changelog

Software updates

• aiida-core v0.11.4
• aiida-quantumespresso v2.0.0
• aiida-cp2k v0.9.0
• aiida-yambo v0.2.5

Improvements

• Switch to Chromium browser as Firefox struggles with WebGL
• Add cp2k data directory
• AiiDA Daemon is now a system service - no need to start it or shut it down
• Import SSSP from AiiDA export files hosted on the Materials Cloud Archive

Build process

• Add variables that can be used to turn on/off features for
  increased flexibility (e.g. to install Quantum Mobile as a
  server):

  • 'headless': if true, avoids GUI-related setup
  • 'release_notes': if false, does not add release notes

• Running the ansible roles on a different host is now as easy as
  ansible-playbook playbook.yml -i inventory_file

• Adjustments for ansible 2.5

Version Summary

The VM comes with:

• OS: Ubuntu 16.04.4 LTS, VirtualBox Guest Additions 5.2.8
• tools: torque, openmpi, xmgrace, gnuplot, xcrysden, jmol
• qm codes:
  • Quantum ESPRESSO v6.2.1
  • Yambo v4.2.1
  • fleur v0.27 MaXR2.1
  • siesta v4.0.1
  • cp2k v5.1
  • wannier90 v2.1
• aiida v0.11.4
  • aiida-quantumespresso v2.0.0
  • aiida-fleur v0.6.0
  • aiida-siesta v0.9.8
  • aiida-cp2k v0.9.0
  • aiida-yambo v0.2.5
  • aiida-wannier90 v1.0.0
• pseudopotentials
  • SSSP (PBE) accuracy v1.0
  • SSSP (PBE) efficiency v1.0
  • SG15 ONCV v1.1

Contact

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist