[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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