09 March 2021

MaX Flagship codes: latest releases

“Within the MaX Centre of Excellence, we aim at bringing the most successful and the widely used open-source, community codes in quantum simulations of materials to the exascale: first and foremost making them scalable and optimized for current and forthcoming architectures, but also leveraging the convergence of high-performance and high-throughput computing with on-site high-performance data analytics and edge computing.”  from MaX sealed proposal, page 3


New empowered releases of the MaX flagship codes are one of the main outcomes of MaX Centre of Excellence.

Here is a list  of the latest updates of the codes, with links to further details on new features, bugs fixed and new  developments.


  • SIESTA Release-4.1.5 - February 4, 2021

Complete info here: https://departments.icmab.es/leem/siesta/2021/02/04/release-4.1.5.html

  • CP2K V8.1 - latest release on December 30, 2020

Complete info here: https://www.cp2k.org/version_history

  • AiiDA v1.5.2 - December 7, 2020 

Complete info here: https://www.aiida.net/download/

Complete info here: https://gitlab.com/QEF/q-e/-/releases#qe-6.7MaX-Release 

  • BigDFT v1.9.1 - November 30, 2020

Complete info here: https://l_sim.gitlab.io/bigdft-suite/

  • FLEUR Release 5 of Version 32 - November 20, 2020

Complete info here: https://www.flapw.de/MaX-5.0/downloads/

  • Yambo v5.0 - February 2, 2020

Complete info here: https://github.com/yambo-code/yambo/wiki/Releases-(tar.gz-format)


Don’t miss the updates, check periodically our codes webpage http://www.max-centre.eu/software/codes