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

amitharani amitharani at nal.res.in
Wed Oct 8 05:27:33 CEST 2014


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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