[Q-e-developers] QE Developers Meeting slides available

[Paolo Giannozzi]

Hello to everybody

slides presented at the last QE developers meeting are 
available here:
http://www.quantum-espresso.org/news/2014-developers-meeting/

Report on QE developers meeting, 8 Jan 2014. 
20 people attended:
Paolo Giannozzi
Layla Martin-Samos
Emine Kukucbenli
Filippo Spiga
Fabio Affinito
Givanni Pizzi
Andrea Cepellotti
Andrea Ferretti
Uwe Gerstmann
Stefano Baroni
Stefano de Gironcoli
Nicola Marzari
Gabriele Sclauzero
Ari Seitsonen
Matteo Cococcioni
Michele Ceriotti
Marco Gibertini
Daniele Dragoni 
Riccardo Sabatini
Linh Nguyen

* There is a general agreement on giving high priority to the new 
  XML output, since this would allow a much easier and automated 
  parsing.
* There is less agreement on moving away from text input file in
  favor of xml-only input file, since most users don't like it
  (currently xml input file is optional, but since it is little 
  used, it is often mis-aligned). In any event, work on xml input
  should follow work on xml output.
* We should proceed with the inclusion of non-intrusive new
  CP features (hybrid functionals, Koopmans correction). It 
  might be preferable to include highly intrusive new features
  like SIC (requiring complex wavefunctions) into a separate
  executable. The question whether those features wouldn't be
  better implemented into PW is still open for debate.
* QE + Path-Integral with socket communications should also 
  be included
* The possibility to apply for Horizon 2020 European projects
  should be pursued. On a smaller scale, we should consider
  applying to psi-k for funding the developers meeting
* The experience with "developers schools" seems very positive, in
  spite of predictable "first-time" problems, and should be replicated. 
  Pre-requisites: a sizable investment in time by at least a few
  instructors; one or more problems, possibly interesting to the
  instructors, that can be coded during the workshop and that can 
  lead to a small paper.
* Work on QE-GPU and on new architectures is going on, in spite
  of the lack of manpower and abundance of software and hardware
  issues
* There are new interesting developments in the field of magnetic
  calculations that should be included in the main distribution

Paolo & Layla

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222