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

[Aaron Friesz]

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
>>>>
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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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>
>
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