[Q-e-developers] QE developers meeting 2013 summary

[Layla Martin-Samos]

Dear all, please find as attachement the summary of our last Quantum
ESPRESSO developers meeting. Most of the presentations can be
downloaded at http://www.quantum-espresso.org/?p=1532 .

Cheers

Paolo and Layla
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QE developers meeting, Trieste 9 jan 2013
Participants:
1- S. Baroni
2- E. Kucukbenli
3- G. Xiachuan
4- M. Monni
5- R. Gebauer
6- N. Varini
7- L. Tornatore
8- S. Scandolo
9- S. de Gironcoli
10- P. Giannozzi
11- N. L. Nguyen
12- S. Piccinin
13- N. Seriani
14- F. Affinito
15- F. Spiga
16- D. Ceresoli
17- A. Ferretti
18- D. Varsano
19- I. Timrov
20- R. Sabatini
21- P. Umari
22- A. dal Corso
23- I. Girotto
24- A. P. Seitsonen
25- U. Gerstmann
26- H. Fisher
27- H. Lambert
28- C. Cavazzoni
29- L. Martin-Samos
30- A. Cepellotti
31- G. Borghi

1) SB gives an introductory presentation of the whole QE project + 
an overview on the Quantum ESPRESSO foundation status and goals.
2) PG gives an overview of last's years progresses and of current
and future activities.
3) LMS gives an introduction on how to use efficiently svn for
improving the collaborative framework.
4) FA makes an overview of past/present and future PRACE activities.
5) FS presents the state-of-the-art of QE on hybrid architectures.
6) TO gives an overview of the ASE project (http://wiki.fysik.dtu.dk/ase).
7) LT presents the state of QE interface for ASE
8) MM presents the state-of-the-art of V&V activities
9) UG has shown the recent improvements on Spin-orbit spectroscopies 
(XSpectra)

MAIN OUTCOMES
1) Definition of working groups
	- Benchmarks HPC: I. Girotto, F. Affinito, F. Spiga,
	  E. Kucukbenli, A. Cepellotti, G. Pizzi, 
	  C. Cavazzoni, L. Martin-Samos
	- V&V PP versus AE: E. Kucukbenli, M. Monni, A. de Gironcoli,
	  P. Giannozzi, A. dal Corso, X. Ge
	- XML IO/ data_file.xml: E. Kucukbenli, G. Pizzi, A. Cepellotti,
	  R. Sabatini, S. Ziraldo, L. Tornatore, A. Ferretti
	- PH re-factoring: A. dal Corso, P. Giannozzi, L. Paulatto
	- PW re-factoring: A. de Gironcoli, P. Giannozzi, L. Martin-Samos

All the groups are open and willing to attract more participants.
The groups have the responsability of choosing a "coordinator" that
will interact with general QE coordinators and with other groups 
coordinators. The groups are free to organize themself, however
each group should produce a "implementation proposal" specifying
WHAT has to be done, HOW and WHO. 
2) Parallel IO will be fundamental for the future HPC architectures
(small ram and small/no disk). IO has to be reduced!

OPEN IDEAS AND QUESTIONS
1) Building an educational package to be sold ("maintainance fee")
2) Extending gluing with python to more applications
3) Can QE foundation be partner of EU projects?
4) More explicit definition of a default pp set?


REMINDER

PLEASE SUBSCRIBE TO THE QE-DEVELOPERS MAILING LIST!