v20.06.1 (desktop)#
Installation instructions#
Get Quantum Mobile running on your computer in three simple steps:
Download virtual machine image (3.4G) https://bit.ly/3gEZqDL Filename:
quantum_mobile_20.06.1.ovaMD5 hash:dba6be9e60e5adf1618a6e251e579c1bInstall Virtual Box 6.1.6 or later www.virtualbox.org
Import virtual machine image into Virtualbox (9.9G) File => Import Appliance
Login credentials: username: max, password: moritz.
The default configuration of 2 cores and 1536 MB RAM can be adjusted in the VM settings.
Changelog#
Improvements#
First official Quantum Mobile release with AiiDA 1.3.0
Software summary#
OS: Ubuntu 18.04.4 LTS, VirtualBox 6.1.10
tools: atomistic (xcrysden, jmol, cif2cell, ase, pymatgen, seekpath, spglib, pycifrw), visualization (grace, gnuplot, matplotlib, bokeh, jupyter), simulation environment (slurm, OpenMPI, FFT/BLAS/LAPACK, gcc, gfortran, singularity)
aiida-core 1.3.0
aiida-bands-inspect 0.4.0
aiida-codtools 2.1.0
aiida-cp2k 1.1.0
aiida-ddec 1.0.0a1
aiida-diff 1.2.0
aiida-fleur 1.1.0
aiida-lsmo 1.0.0b2
aiida-optimize 0.3.1
aiida-qeq 1.0.0a1
aiida-quantumespresso 3.0.0
aiida-raspa 1.1.1
aiida-siesta 1.0.1
aiida-tbmodels 0.4.0rc1
aiida-tools 0.3.3
aiida-vasp 0.2.4
aiida-wannier90 2.0.1
aiida-wannier90-workflows 1.0.1
aiida-yambo 1.1.1
aiida-zeopp 1.1.1
aiidalab 20.7.0b2
simulation codes:
Quantum Espresso 6.5
Yambo 4.5.1
fleur 0.30 MaX4
siesta v4.1-rc1
cp2k 7.1
Wannier90 3.1.0
pseudopotentials
SSSP (PBE) accuracy v1.1
SSSP (PBE) precision v1.1
SG15 ONCV v1.1
Build process#
ansible 2.9.10
Vagrant v2.2.9
vbguest v0.24.0
bento/ubuntu-18.04 v202005.21.0
Virtualbox v6.1.10
Known Issues#
BigDFT is not installed, since a fix is outstanding for marvel-nccr/ansible-role-bigdft#8.