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v20.05.0

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@ltalirz ltalirz released this 24 May 11:50
· 13 commits to master since this release

Quantum Mobile Workhorse Server 20.05.0 is the first release with pre-built images on major cloud platforms:

Platform Pre-built image Instructions
Amazon Web Services ami-006638a0a99849fc3 Launch VM
Google Cloud Platform quantum-mobile-20-05-0 Launch VM

Version Summary

  • OS: Ubuntu 18.04.4 LTS
  • 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)
  • simulation codes:
    • Quantum ESPRESSO v6.5
    • yambo v4.5.1
    • fleur v0.30 MaXR4
    • siesta v4.1-rc1
    • cp2k v7.1
    • wannier90 v3.1
    • bigdft 1.9.0
  • aiida v1.1.1
    • aiida-cp2k v1.0.0b6
    • aiida-quantumespresso v3.0.0a6
    • aiida-siesta v1.0.0
    • aiida-fleur v1.0.0a0
    • aiida-bigdft v0.1.0a0
    • aiida-yambo v1.0.0
    • aiida-wannier v2.0.1
    • aiida-wannier-workflows v1.0.1
  • pseudopotentials
    • SSSP (PBE) accuracy v1.1
    • SSSP (PBE) precision v1.1
    • SG15 ONCV v1.1