Code review comment for lp:~albertog/siesta/merge-OSSO

El 23/04/18 a las 11:35, Ramon Cuadrado escribió:
>>> Hi Alberto, all,
>>>
>>> Just finished some FePt and Pt2 tests (not Z-matrix) and it seems that
>> for
>>> trunk-688--merge-OSSO-698 every test gives right results! I mean, anisotropy
>>> energies, MMs, forces and rotational tests are ok. Maybe Roberto wants to
>>> perform an additional test.
>> So you find no changes stemming from the fixing of the wrong-highest-l pseudo
>> SO contribution?
> No changes.
>
>
>>> The code does not finish properly. Just stops after write "Target
>> enthalpy
>>> (eV/cell)" or Mulliken pop which I guess that will be fixed in the final
>>> merge...
>> We need to look at this. Please provide fdf file and psf's.
> The PPs and the fdf’s are thosein the Test directory for FePt and Pt2...
Is this the bug with state_analysis.F compiled with an intel compiler?
This is a very annoying problem, up to three people has contacted me
with that problem. If we can not fix it it should be stated in the
manual in the instructions for compiling, since usually people recycle
their arch.make instead of modifying the supplied intel.make

Roberto

>