[Pw_forum] qe-6.2 Phonon recover=.true. Not Working

[Isaiah Moses]

 More precisely,
For phonon calculation to resume after stopping, the following errors were
obtained:

    Representation # 13 mode #  13

     Self-consistent Calculation
     kpoint   1 ibnd  22 solve_linter: root not converged        NaN
     kpoint   2 ibnd  22 solve_linter: root not converged        NaN
     kpoint   3 ibnd  22 solve_linter: root not converged        NaN
.........
.........
.........
     kpoint 286 ibnd  22 solve_linter: root not converged        NaN
     kpoint 287 ibnd  22 solve_linter: root not converged        NaN
     kpoint 288 ibnd  22 solve_linter: root not converged        NaN

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine broyden (3):
     factorization
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


And I would have to remove _ph0 directory for the calculation to start
afresh again.

Thanks,
Isaiah


On Mon, Nov 27, 2017 at 8:17 PM, Isaiah Moses <imoses87 at gmail.com> wrote:

> Dear all,
> I've tried to split phonon calculation among the irreps, collect the
> results to obtain the dynamical matrix using qe-6.2 (optimized tetrahedron
> method) as I would usually do with qe-6.1 and qe-5.4.
>
> With the recover=.true., the calculation would not use the results of the
> different irreps that had already been computed but instead started all
> over the whole calculation again.
>
> I've tried to just stop phonon calculation (without splitting) and
> resubmit again and the same thing occurred, the whole calculation started
> all over.
>
> It seems there is a problem with the recover=.true. option in qe-6.2
> release.
>
> Any assistant in getting out of this shall be appreciated.
>
> I appreciate your anticipated response,
> Isaiah
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>



-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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