[Q-e-developers] Google Summer Of Code

Nicola Marzari nicola.marzari at epfl.ch
Mon Mar 5 19:16:15 CET 2012

Ciao Paolo,

first of all (and most of all :-) ), I just wanted to mention that this
is an excellent idea - thanks a lot for taking charge.

Mar 9th is terribly early for me to have a chance to help with the 
submission (I can offer some feedback, if desired) - most of the 
projects below are of great interest, and we could offer
some mentorship (maybe on the interface with ASE?).

I'm forwarding this email to Boris Kozinsky, to see if he could be
interested in being a mentor. Also, someone that could be involved in 
the XML is Martin Luders - let me know if you'd like me to pass this on.


On 01/03/2012 21:06, Paolo Giannozzi wrote:
> I am writing an application for the QE foundation as mentoring
> organization
> to the "Google Summer of Code" (deadline 9 march). The application
> has very
> little probability to be accepted without (and maybe even with) a
> credible
> list of projects (should be online by the 9th). There is a list of
> projects
> in the "Road Map" section of the wiki:
> http://www.quantum-espresso.org/wiki/index.php/Projects , or in
> the new website: http://testwp.qe-forge.it/wordpress-3.1.4/?page_id=564
> (slighty more updated) but it isn't satisfactory.
> Projects should consist of coding, at least as the main activity;
> projects should be well-defined and should be feasible in a few months;
> at least a few projects should not require any knowledge of physics
> (there might be physics students applying, but I don't expect many of
> them,
> and in any case it si unlikely that they know about DFT and the like);
> there must be a mentor (not a mentitor), better two, following each
> project.
> This is what I have been thinking of, also recycling another call for
> summer students that never materialized. They all have the same problem:
> it's work on an existing code base, rather than new code.
> * Write or improve interface between the MOKA builder and QE input/
> output
>     - Prerequisites: Java, XML
> * Write new XML output format for QE
>     - Prerequisites: Fortran-95, XML
> * Interface QE with genetic/evolutionary algorithm
>     A working interface between the C++ code developed at Ames and an old
>     version of QE exists. The work consists in understanding what changes
>     need to be done to QE and how to introduce these changes with minimal
>     disruption, in view of a public release
>     - Prerequisites: C++, some knowledge of Fortran-95
> * Interface with ASE (https://wiki.fysik.dtu.dk/ase/index.html)
>     The work consists in understanding how QE routines can be recast into
>     a form that can be easily called from a scripting language
>     - Prerequisites: Python, Fortran-95
> * Portable I/O
>     The work consists in making it possible to save large files in
> (portable)
>     hdf or unicode format instead of the current(non-portable) binary
> format.
>     Alternatively: finding a trasparent way to write formatted but
> compressed
>     (gzipped or bzipped) files from Fortran
>     - Prerequisites: Fortran-95, C
> Any more (better) ideas? Mentors?
> PG
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL

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