[QE-users] cppp.x error

[Paolo Giannozzi]

>From Doc/release-notes file:
---
Incompatible changes in version 6.4 version:
[...]
  * Old format (-D__OLDXML) deleted. Everything should work as before but
some
    exotic options might have problems. The following utilities no longer
work:
    - cppp.x (was reading old format only)
    - importexport.x (superseded by hdf5 for portable binaries)
    - bgw2pw.x (was writing old format only)
---
v.6.3 works only if you use the old XML format

Paolo

On Mon, Mar 18, 2019 at 6:02 PM Muhydeen Olakunle Adelani <
mo.adelani at gmail.com> wrote:

> Dear QE User,
>
> I am getting an error while post processing using cppp.x in qe-6.3 and qe-6.4
>
> task #        19
>      from  cppp  : error #         1
>       Cannot open file .//cp_51.save//data-file.xml
> So I searched in the QE forum about this and found out that Paolo has already given a solution for this in the following post dated 2008.
>
> http://www.democritos.it/pipermail/pw_forum/2008-May/009022.html
>
> I don't know why the code stick to the default value of ndr(51) instead of using the one generated from the previous run.
>
> I attached my input file.Please help me on this.
>
> &INPUTPP
> prefix = 'FG12,
> fileout = 'postproc',
> outdir = './tmp/',
> output = 'xsf',
> ndr = 94,
> charge =.false.,
> atomic_number(1)=26,
> atomic_number(2) = 31,
> ldynamics =.true.,
> nframes = 200,
> /
> Greeting.
>
> PhD Student
> Centro de Investigacion en Materiales Avanzados,S.C.
> Mexico.
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-- 
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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