[Pw_forum] matdyn file corrupted? Error in routine readmat (1): mismatch in reading file

Paolo Giannozzi paolo.giannozzi at uniud.it
Sat Mar 22 09:51:28 CET 2014


It shouldn't be difficult to locate the place in the code 
where the mismatch is found, print what is read and what 
was expected.

P.

On Fri, 2014-03-21 at 18:19 -0700, weeliat wrote:
> Dear All,
> 
> 
> I got the following error msg when running dynmat.x (ver 5.0.2) on a
> matdyn file to get the eigenvectors/values.
> 
> 
>      Reading Dynamical Matrix from file matdyn
> 
> 
> %%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine readmat (1):
>      mismatch in reading file
> %%%%%%%%%%%%%%%%%%%%%%%
> 
> 
>      stopping ...
> 
> 
> I compared this matdyn file with other matdyn files that i have but
> found nothing structurally different.  
> 
> 
> I wonder if somehow this matdyn file is corrupted and if there is a
> way to recreate this file as i have all the previous "raw" output
> (i.e., all the output files from phcg.x)?  I have considered to rerun
> this calculation to get a new matdyn but it took 1 month for phcg.x to
> finish and generate this matdyn file for my 150-atom system.
> 
> 
> Please help. 
> 
> 
> Thanks,
> 
> 
> wee liat
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 




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