[QE-users] cppp.x error

[Muhydeen Olakunle Adelani]

Dear Paolo,

Thank you for taking the time to respond to my question. I will work as
your advice.

Greeting.


PhD Student
Centro de Investigacion en Materiales Avanzados,S.C.
Mexico.


El lun., 18 mar. 2019 a las 13:19, Paolo Giannozzi (<p.giannozzi at gmail.com>)
escribió:

> 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     - importexport.x (superseded by hdf5 for portable binaries)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.
>> _______________________________________________
>> users mailing list
>> users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> 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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