[gpaw-users] Re: [gpaw-developers] GPAW sprint

[Jens Jørgen Mortensen]

On Fri, 2010-04-09 at 10:57 +0200, Jens Jørgen Mortensen wrote:
> To those of you that are in Lyngby on Monday April 12:
> 
> At this weeks GPAW meeting, we decided to have the next GPAW-sprint on
> Monday April 12 at DTU in Lyngby starting at 10:30.
> 
> The topic of the sprint will be:
> 
>   "Testing of GPAW with real life examples"

Thanks to everyone who participated.  It was great to see so much work
done in so little time!

To those of you that wrote test scripts yesterday:  you should take a
look at the documentation Troels has written here:

  https://svn.fysik.dtu.dk/projects/gpaw/trunk/doc/devel/testing.rst

There, you can see how to write an agts file to get your scripts
submitted to the queue.  If you have questions - ask.

The submit infrastructure is almost there.  I hope we can finish it
during the next couple of days.

Jens Jørgen

> Yes, we do have a test-suite of many tests, but those are small, trimmed
> down and artificial tests.  We need to do more realistic test jobs for
> bigger systems that calculate something of value to us.
> 
> These jobs will require more CPU's and take longer time to run, so we
> will submit the jobs to Niflheim every weekend.
> 
> Everybody is invited to participate, and there will be enough tasks for
> everyone:
> 
> * write job scripts
> * develop machinery to submit the jobs to Niflheim
> * document how to write tests
> * analyze results
> 
> 
> Job scripts
> -----------
> 
> There are already some jobs here:
> 
>   https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/sunday
> 
> but I would also like most scripts that were used to generate the tables
> and figures of the big GPAW paper
> (http://www.psi-k.org/newsletters/News_98/Highlight_98.pdf) to be added
> as tests.  I have these scripts somewhere, but they need to be polished
> and added to SVN.
> 
> 
> Submitting the jobs to Niflheim
> -------------------------------
> 
> I have some code that does that, but it is only a prototype:
> 
>   https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/tools/sunday.py
> 
> 
> Documentation
> -------------
> 
> Someone should describe how one can add new jobs.
> 
> I would also like some of the tutorials on the GPAW web-page to be
> coupled to jobs that run every weekend.  An example:
> 
> 
> https://wiki.fysik.dtu.dk/gpaw/tutorials/lattice_constants/lattice_constants.html#careful-test-for-convergence
> 
> The figures in this tutorial take some time to generate, and it would be
> nice if this was done automatically every weekend.  This sort of thing
> should be made easy and documented somewhere.
> 
> 
> Analysis
> --------
> 
> Once all the jobs have been submitted to Niflheim and have finished we
> will need to analyze the results and maybe send an email to the gpaw-dev
> ML if something strange happened like a crashed job or if the wall clock
> time increased compared to previous weekends (or decreased).
> 
> 
> Tasks
> -----
> 
> * submit machinery (1 person)
> * coupling between web-page generation and weekend tests (1-2 persons)
> * analysis (1 person)
> * writing job scripts (as many as possible)
> 
> Please bring your own laptop (or borrow one).  Make sure it has the
> right tools installed and test the wireless connection before we start.
> 
> If you are in doubt whether or not you should participate - come and
> talk to me and I will convince you that you should :-)
> 
> See you Monday,
> Jens Jørgen
> 
> 
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