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

[Paolo Giannozzi]

On Tue, 2014-10-07 at 10:08 -0500, Juliana Morbec wrote:

> 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

code version?

> I was using 576 processors, with -npool 4 -npw 32 -ndiag 16. 

there is no command-line option "-npw" that I remember 

Paolo

> 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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