[Q-e-developers] XML update and constrained DFT code submission

[Matthew Goldey]

Hi everybody,

We're almost ready to submit our constrained DFT code to QE since our paper
was finally accepted, but there's one major problem - the new XML format
has a bug that prevents me from fully integrating with the latest IO
routines. Using -D__OLDXML, everything works fine. The bug is illustrated
for a normal DFT run in the attached test.tar.gz and was present in commit
9c55c8be77442d00b4aaf01b43311200fc15f826 (from yesterday). This test case
works with -D__OLDXML but not with the new XML routines. There's an issue
reading in XML files when nspin=2 in some (but not all) postprocessing
routines.

Should we submit the code using the old XML routines or wait for the new
XML routines to become stable?

As a follow-up, I should mention that the latest git commit needs a minor
patch (attached as oldxml.patch) to compile with -D__OLDXML.

Regards,

Matthew Goldey
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