[Pw_forum] I/O problem with qe 4.0.4

[Axel Kohlmeyer]

On Wed, 2009-03-25 at 03:19 +0100, merlin meheut wrote:
> Dear PWSCF users,
> 
> I am trying calculating a big structure (72 atoms) with quantum  
> espresso 4.0.4. With qe 3.0, I had no particular problem, but with qe  
> 4.0.4 I have this error message:
> 
> 
>    
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       from davcio : error #        99
>       error while writing to file
>    
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
>       stopping ...

> This is strange because it happened twice at the same point,  
> approximately half-way to the end of the calculation.
> 
> It may be related to different problems, such as hardware, but I will  
> be happy if you have any hints to make myself a more precise idea of  
> the problem.


i'd first check if you have enough free disk space on the 
device that you are writing to and sufficient quota, in case
your installation uses quotas.

axel.

> In particular, the qe 3.0 is probably in a place more easily  
> accessible on the file system, so it may be related to that.
> 
> Many thanks,
> 
> Merlin
> 
> 
> --
> Merlin Méheut
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.