[QE-users] pw_readschema_file failed retrieving input info from xml file ph.x using grid in qe-6.3-bkp and 2D cutoff

[Pietro Davide Delugas]

sorry but your message is painfully impervious  ...
do  I understand correctly that at the moment,   the only issue is that 
at restart ph fails when the  reduce_io flag is set to true.
  Is it right ?
Pietro

On 03/26/2019 02:16 PM, Raphael Longuinhos Monteiro Lobato wrote:
> Hi,
>
> I just compiled the q-e-dev to try the changes from 
> https://gitlab.com/QEF/q-e/issues/102
>
> It appears some things are missing (could be may fault). The scf 
> (wf_collect false, 2D) wrote the wfcs, xml and bands on scratch. The 
> ph0(reduce_io true, single-q out Gamma) created the phsave and save in 
> _ph0, and copied only charge.dat to _ph0/save; no wfcs, nor xml in 
> _ph0.In the phout, there is no "failed retrieving info from xml", it 
> found the bands in scratch/save and printed (reading from 
> /scratch/xml? as there is no xml in _ph0?) it is a 2D calc. It built 
> the pot from _ph0/save (the charge.dat is there) did the scf, but 
> forgot to write the wfcs from this scf (and apparently, did not stored 
> it on RAM) ... going on, the dfpt step could not find the .wfc (is it 
> a miss behave of the reduce io flag? previously, in a single 
> calculation with reduce io flag it did not happen). I repeated the ph0 
> with the reduce io flag commented, and as results: the wfc are in 
> _ph0, the xml in _ph0/save, after the phx calls pwx to calc the bands 
> it wrote it, and the dfpt now finds the wfcs.
>
> Best,