v18.02.0

You can now run Jupyter Apps using AiiDA inside Quantum Mobile,
just as if you were running on jupyter.materialslcoud.org.

Bugfix Note: A left-over file currently blocks starting the Jupyter Home App. In order to remove it, please paste the following into a terminal:
rm /project/apps/home/.launcher.conf
This needs to be repeated the next time the home app is started.
A fixed VM image will be released in the next few hours.

Installation instructions

1. Download virtual machine image (4.6G)
   http://bit.ly/2F3SXjW
   MD5 hash: 52e2cce90a101225d21973d9ebe70ca2
2. Install Virtual Box 5.2.6 or later
   www.virtualbox.org
3. Import virtual machine image into Virtualbox (11G)
   File => Import Appliance
4. Log in using credentials max / moritz

Software Updates

• aiida-yambo v0.2.4
• aiida-siesta v0.9.8
• QE 6.2.1
• SSSP (PBE) accuracy 1.0
• SSSP (PBE) efficiency 1.0

Build process

• VM image built using Virtualbox 5.2.6 + Guest Additions 5.2.7

Version Summary

The VM comes with:

• OS: Ubuntu 16.04.3 LTS
• 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
• aiida v0.10.1
  • aiida-quantumespresso v1.0.0
  • aiida-fleur v0.6.0
  • aiida-siesta v0.9.8
  • aiida-cp2k v0.7
  • aiida-yambo v0.2.4
• 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