[Pw_forum] Error in routine read_rho_xml (1): dimensions do not match

[Juliana Morbec]

Dear Paolo and Amitha.

I am using v.5.0.2. And I removed "-npw" and I am still having the same
problem.
And no, I didn't change the number of processors.
I think this is not a memory problem because BFGS Geometry Optimization
went well without any problem.
The job crashes when starting the "final scf calculation at the relaxed
structure".

I will really appreciate any help in this issue on this.

Best wishes,

Juliana Morbec
-----
Juliana M. Morbec, Ph.D.
Postdoctoral Researcher
Institute for Molecular Engineering, The University of Chicago





On Tue, Oct 7, 2014 at 10:27 PM, amitharani <amitharani at nal.res.in> wrote:

> Hi
> have u by any chance changed the number of processors? I too had this
> problem as I had changed the number of processors. Adding wf_collect=
> .true. in the input file under &control solved my problem.
> best wishes
> amitha
>
> On 07.10.2014 20:38, Juliana Morbec wrote:
> > Dear All.
> >
> > I am running vc-relax calculation for Ta3N5 with an extra charge
> > (tot_charge=-1). The calculation went well during the  BFGS Geometry
> > Optimization. However, in the "final scf calculation at the relaxed
> > structure" my job crashed with the error
> >
> > _ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%_
> > _     Error in routine read_rho_xml (1):_
> > _     dimensions do not match_
> > _ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%_
> >
> > I was using 576 processors, with -npool 4 -npw 32 -ndiag 16. Does
> > anyone know which could be the problem in this case?
> >
> > I will really appreciate any help in this issue on this.
> >
> > Best wishes,
> >
> > Juliana Morbec
> >
> > -----
> > Juliana M. Morbec, Ph.D.
> > Postdoctoral Researcher
> > Institute for Molecular Engineering, The University of Chicago
> >
> >
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