[Pw_forum] error in atomic coordinates

Marcello Rosini marcello.rosini at unimore.it
Tue Oct 6 17:29:07 CEST 2009


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

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  email: marcello.rosini at unimore.it

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