[Pw_forum] d3 errors in file reading

[matthieu verstraete]

Hello again - some progress: I have made d3 work for the gamma point,
with the mpi executable and a single processor (and -inp thanks to
Paolo's patch).

Now I would like to get the corrections for other q-points, and I'm
again getting davcio error messages. I have isolated the possible
calls to phq_init (called from d3toten), wherein there are two calls
to davcio: one for all q and one which is not used for q=Gamma (line
196 to get evq) - the likely culprit. The strange things are
1) this has been called before, during the phonon run, and everything was fine
2) the wfc file is complete: I used
    wf_collect = .true.
so there is no reason davcio could be looking for something else.
Could the call to phq_init from d3toten be looking for other files
that ph.x did not need? Are there other files which need to be
"collected" because I did the phonons in parallel?

I have also tried d3 in parallel (32 procs like the phonons) and it
fails very quickly.
Log file:
>>>
     READING PATTERNS FROM FILE sb.drho02.pat
     READING PATTERNS FROM FILE sb.drho01.pat
<<<
sb.drho01 is present.

Error file:
<<<
"io_pattern.F90", line 45: 1525-001 The READ statement on the file
./_ph0sb.sb.drho01.pat cannot be completed because the end of the file
was reached.  The program will stop.
>>>
Again, _ph0sb.sb.drho01.pat is present.

Any hints? I have the impression it's not a bug, but I have no way of
knowing which file is corrupted or missing...

Thanks

Matthieu

On Wed, Sep 29, 2010 at 2:02 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> matthieu verstraete wrote:
>
>> - is d3 fully parallelized? Can I run it with more?
>
> you can, but I think you need to run d3 on the same number
> of processors as for ph.x
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Prof. Matthieu Verstraete

Universite de Liège
Institut de Physique, Bat. B5, 3/7
Allée du 6 aout, 17
B- 4000 Sart Tilman, Liège
Belgium

Associate member European Theoretical Spectroscopy Facility (ETSF
http://www.etsf.eu)

Phone : +32 4 366 90 17
Fax   : +32 4 366 36 29

Mail : matthieu.verstraete at ulg.ac.be
          matthieu.jean.verstraete at gmail.com