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

[Aaron Friesz]

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$
> )
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