[Pw_forum] Formatting discrepancy in pdos file headers

Paolo Giannozzi p.giannozzi at gmail.com
Tue May 17 10:23:57 CEST 2016


That part of the code (PP/src/partialdos.f90, line 165 and following) used
a nonstandard way (format descriptor "$") to write without advancing. Maybe
your compiler doesn't like it. The newer version uses the standard "
advance='no' " syntax.

Paolo

On Mon, May 16, 2016 at 10:54 PM, Eric Glen Suter <esuter at uga.edu> wrote:

> Hi all,
>
>
> I think I've found something of a small glitch when executing projwfc.x in
> QE version 5.2.1
>
>
> To clarify, the program executes successfully but the headers of the files
> produced by the executable don't appear on the same line. This causes
> issues when I try to run sumpdos.x as it can't read the appropriate header
> line and throws me an error:
>
>
>
> ******************************************************************************
>
>      from sumpdos : error #         1
>
>      reading first line in undoped.pdos_atm#2(K)_wfc#1(s)
>
>
>  ******************************************************************************
>
>
> Attached are two files showing the small discrepancy. I figure this must
> be a small formatting error when the program writes to those files, but I
> can't seem to find the line where it occurs to fix it. I apologize in
> advance for such a trivial question, but any help at all would be greatly
> appreciated.
>
>
> Best regards,
>
> Eric Suter
>
> University of Georgia
>
> Department of Physics and Astronomy
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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