[Pw_forum] Error in routine pw_readfile: error opening xml data file

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Feb 4 21:49:43 CET 2015


How was the calculation you restart from obtained?
Normal end with no convergence, stopped for cpu time
limit, stopped by user with EXIT file?

P.

On Wed, 2015-02-04 at 17:14 +0000, Juliana Morbec wrote:
> Dear All.
> 
> 
> I am trying to perform vc-relax calculations (with version 5.1.1), but
> when I try to restart the calculations I got the following error
> message:
> 
> 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine pw_readfile (1):
>      error opening xml data file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> 
> I have tried this calculation in two different machines and got the
> same error. I am sending here my input and output files. 
> 
> 
> Could someone help me with this problem, please?
> 
> 
> Thank you,
> 
> 
> Dr. Juliana M. Morbec
> Postdoctoral Researcher 
> Institute for Molecular Engineering, The University of Chicago
> 
> 
> 
> 
> 
> 
> 
> 
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