[QE-users] pp.x error accessing restart file

[Aaron Friesz]

In that case, based on the pp input file I posted previously, what name is
pp.x looking for?  I copied the .wfc files from pw.x into the .save
directory and get the same error message.

On Thu, Dec 3, 2020 at 11:25 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> QE writes to, or reads from, a directory $prefix.save into directory
> $outdir. Depending upon options and code version, it may also read or write
> some $prefix* files into $outdir. If your postprocessing code has different
> $outdir or $prefix from those of the scf codeproducing the data , you
> should copy or rename all the needed files accordingly
>
> Paolo
>
> On Thu, Dec 3, 2020 at 10:06 PM Aaron Friesz <friesz at usc.edu> wrote:
>
>> When I move the wavefunction files into that directory, I get the same
>> error.  Am I getting the names wrong?  They are name 'pwscf.wfc1', etc, and
>> I believe I have told the pp.x program the name in the correct way.
>>
>> On Thu, Dec 3, 2020 at 12:36 PM Aaron Friesz <friesz at usc.edu> wrote:
>>
>>> Yeah, the pw.x run didn't save them in that folder.  Is there a way to
>>> tell pw.x to do that?  I can move this batch, but it would be nice if they
>>> were in the expected spot.
>>>
>>>
>>> On Thu, Dec 3, 2020 at 12:34 PM Paolo Giannozzi <p.giannozzi at gmail.com>
>>> wrote:
>>>
>>>> Yes, it's just looking for wavefunctions and it doesn't find them. My
>>>> guess is that the problem is in the previous scf or non-scf step, or in a
>>>> mismatch between expected and available file names
>>>>
>>>> Paolo
>>>>
>>>>
>>>> On Thu, Dec 3, 2020 at 9:19 PM Aaron Friesz <friesz at usc.edu> wrote:
>>>>
>>>>> Oh, I thought this was a restart file for a time constrained run.  But
>>>>> it's just looking for the wavefunction file created by pw.x?
>>>>>
>>>>> On Thu, Dec 3, 2020 at 12:17 PM Paolo Giannozzi <p.giannozzi at gmail.com>
>>>>> wrote:
>>>>>
>>>>>> On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <friesz at usc.edu> wrote:
>>>>>>
>>>>>>      cannot open restart file
>>>>>>> /scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948/pwscf.save/wfc1 for reading
>>>>>>>
>>>>>>> I would like to know why the program is trying to access this file
>>>>>>>
>>>>>>
>>>>>> because it contains the wavefunctions
>>>>>>
>>>>>> and why it can't access this file
>>>>>>>
>>>>>>
>>>>>> because it's not there? why, hard to say
>>>>>>
>>>>>> Paolo
>>>>>> --
>>>>>> 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
>>>>>>
>>>>>> _______________________________________________
>>>>>> Quantum ESPRESSO is supported by MaX (
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>>>>>> )
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>>>>>
>>>>> _______________________________________________
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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
>>>>
>>>> _______________________________________________
>>>> Quantum ESPRESSO is supported by MaX (
>>>> https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!-kxOXmBmzd4IT5zyoXxRylZttk74bjzSHEZn535yEMF8xzasFzvdMGdUF8IAGQ$
>>>> )
>>>> users mailing list users at lists.quantum-espresso.org
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>>>
>>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu
>> <https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!5mLgfdbAhMNcXDC8xfiFWuGtQD86h03JV0he5gpcisCqG4XbAEVEmHl3uRpCog$>
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (
> https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!5mLgfdbAhMNcXDC8xfiFWuGtQD86h03JV0he5gpcisCqG4XbAEVEmHl3uRpCog$
> )
> users mailing list users at lists.quantum-espresso.org
>
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