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

[Paolo Giannozzi]

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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>>>>> )
>>>>> users mailing list users at lists.quantum-espresso.org
>>>>>
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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)
> 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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