[Pw_forum] error in atomic coordinates

[Giovanni Cantele]

Marcello Rosini wrote:
> hallo everybody
> I launched a calculation wit pw.x 4.1 and I got the following error
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         0
>      from card_atomic_positions : error #         1
>      Error while parsing atomic position card.                
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> while launching with version 4.0.5 is not present.
> I see that there are some modifications in file modules/read_cards.f90, 
> but I didn't manage to find out where the problem comes from....
> anyway.... I launched with 4.0.5, copy the initial coordinate of the 
> output file into the input, and now the 4.1 runs fine.
> Any suggestion?
>
> please find here the original and the modified input files
> http://cdm.unimo.it/home/fisica/rosini.marcello/inputs.txt
>
> many thanks,
> Marcello
>
>   
I was able to bot reproduce your error and get rid of it. It was due to 
the fact that, provided the copy and paste from the above link correctly 
reproduced all characters, there were some "tabs" in your file. I just 
replaced them with spaces and everything worked fine.

Probably, tabs are "unwanted" characters in the new version.

Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
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E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
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