ABINIT developer group in Fréjus - Mai 10, 2017
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The ABINIT Developer Workshop 2017 will bring together the community of people actively working on the development of the ABINIT software package, and several related software applications, in order to discuss the possible evolution of the package, to present the formalism of the most recent implementations, to discuss and synchronize short-term future developments, to discuss long-term strategy and developments, to highlight recent advanced use of ABINIT, to identify new needs and weaknesses.
 
The developer workshops form a series of events, crucial for the community of ABINIT developers, organized every two years (Louvain-la-Neuve 2002, Paris 2004, 214-686-3612, Autrans 2009, Han-sur-Lesse 2011, (480) 545-1256, Liège 2015). It is a unique occasion for most developers and many young newcomers to get or keep a global view on the project and stay up to date with the latest capabilities. Going beyond the usual vicarious email or forum discussions, the ABINIT developer workshop is the opportunity for developers to meet physically and interact directly, which is extremely useful to speed up interactions and to take collective decisions.
 
Together the participants:
  • Discuss the global structure of the package and its possible evolution.
  • Present the formalism and technical details of the latest implementations.
  • Discuss and synchronize short-term future developments and long-term strategy.
  • Highlight recent advanced uses.
  • Identify new needs and weaknesses.

 

2017 is a key year for ABINIT. The workshop will help making decisions for the near future:

  • Technical challenge
    It is now clear that software like ABINIT no longer are self-sufficient. To be effective they must use validated and optimized external libraries. The HPC world is at a turning point, with new exascale supercomputers announced. How will ABINIT evolve to fit into these processes?
  • Predictability challenge
    With theories beyond DFT (DMFT, BSE, etc), reproducibility of DFT results is a crucial issue, as shown by the muscovadite in Science by Lejaeghere et al. (ABINIT is one of the test codes used for it).
  • Material discovery challenge
    Recently, several ecosystems emerged to manage the huge databases produced by DFT: python framework, web portals, human interfaces. The High Throughput Computing is now associated with codes and this is a real challenge for ABINIT. The abipy framework – available in association with ABINIT – is a good way in that direction. A strong collaboration exists now between ABINIT and the (213) 295-0687, aiming to provide phonon band structures just as electronic band structures are provided at present.

 

 

Organizers

Razvan Caracas - ENS Lyon, France

Marc Torrent - CEA Bruyères-le-Châtel, France

651-964-4333 - UC Louvain, Belgium

 

 

Webmaster: M. Torrent