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

[Paolo Giannozzi]

On Wed, 2014-10-08 at 10:55 -0500, Juliana Morbec wrote:

> I am using v.5.0.2.

please try first of all the newest release (5.1, or the svn version).
There were several glitches in the last step of a variable-cell
optimization, some of which might have been found after v.5.0.2.
If the error persists, please provide your input file.
 
Paolo

> 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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