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

Pietro Delugas pdelugas at sissa.it
Wed Jan 23 08:18:49 CET 2019


Hi Filippo

- I guess  6.4, but I don't know

- pw output data will be fully compatible with the 6.3,   ph.x 6.4 and 
any  post-processing program  should  be able to use data produced by 
6.3 and in most cases vice-versa.

   I cannot guarantee that you will be able to resume phonon 
computations started with 6.3 with the new version, this  fortunately  
sounds like a very unlikely contingency.

On 22/01/19 23:06, Filippo Spiga wrote:
> Hi Pietro,
>
> two questions (pure curiosity)
> - Is this going to be a 6.3.1, 6.4 or 7.0?
> - 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 ...)
>
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20190123/1e2ed0bc/attachment.html>


More information about the developers mailing list