[QE-developers] to do list for the next release

Paolo Giannozzi p.giannozzi at gmail.com
Fri Jan 25 11:32:31 CET 2019


On Tue, Jan 22, 2019 at 11:06 PM Filippo Spiga <spiga.filippo at gmail.com>
wrote:


> - Is this going to be a 6.3.1, 6.4 or 7.0?
>

definitely not 6.3.1. About 6.4 vs 7.0 .. I don't know, opinions?


> - In term of checkpoint/restart or any more complex workflow, what is the
> forward & backward compatibility of this version? i.e. can I do PWscf from
> any previous 6.x and run PH of this latest version? Or can I stop a PWscf
> calculation I was running from a previous 6.x and resume it using this
> latest version? things like that ...)
>

output data and restart data are two different stories. The latter case
might still work because I do not remember much (recent) activity on that
side. Data produced with the old output data format will be unreadable by
new code versions. Data produced with earlier versions of the new output
data format ... might still be readable by the new code version, at least
in simple cases (that is: no exotic options) but no warranty.

Paolo


Cheers
>
> On Jan 22, 2019, at 3:19 PM, Pietro Delugas <pdelugas at sissa.it> wrote:
> > Dear all
> >
> > As  has been  decided at the end of  the last developers meeting, the
> next release will be the 28th of February 2019.
> >
> > It would be useful to prepare  a list with  all programmed
> contributions.
> >
> > We start the  list with the  things that here in Trieste me and Paolo
> Giannozzi  are going to add before the next release.
> >
> > Please feel add your contribution to the list replying to this thread.
> >
> > regards - Pietro
> >
> > TODO list for the next release (end of February)
> > Pietro Delugas & Paolo Giannozzi
> >
> > 1. Update of xml output with some new variables and usage of the new
> >     interface. Merge request is going to be posted by the end of January
> > 2. Merge request with the last developments on EXX + Localization with
> >     SCDM ( Ivan Carnimeo's branch).
> > 3. Preparation of the official release of PostQE with preparation of
> >     wiki pages for examples, installation and contribution of new
> features
> > 4. Removal of iotk from the distribution. Requires to move to schema-
> >     based phonon output (or to remove it in case implementing the schema
> >     takes too much time).
> > 5. Documentation for the new I/O, both xml and binary files.
> > 6. First step towards Ford documentation.
> >
> > <to_do_list.txt>_______________________________________________
> > developers mailing list
> > developers at lists.quantum-espresso.org
> > https://lists.quantum-espresso.org/mailman/listinfo/developers
>
> --
> Filippo Spiga
> _______________________________________________
> developers mailing list
> developers at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/developers
>


-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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