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 <[email protected]> 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 <[email protected]> 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 <[email protected]> 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 <[email protected]> >>> 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 <[email protected]> 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 <[email protected]> >>>>> wrote: >>>>> >>>>>> On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <[email protected]> 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 ( >>>>>> https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!4FiELZVRH160-91xmc_JebbUe3vMtug8gOGtRhIBrgTutlWKMsiw94JAOBHjFA$ >>>>>> ) >>>>>> users mailing list [email protected] >>>>>> >>>>>> https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!4FiELZVRH160-91xmc_JebbUe3vMtug8gOGtRhIBrgTutlWKMsiw94KzRCR5aA$ >>>>> >>>>> _______________________________________________ >>>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu >>>>> <https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!-kxOXmBmzd4IT5zyoXxRylZttk74bjzSHEZn535yEMF8xzasFzvdMGdUF8IAGQ$> >>>>> ) >>>>> users mailing list [email protected] >>>>> https://lists.quantum-espresso.org/mailman/listinfo/users >>>>> <https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!-kxOXmBmzd4IT5zyoXxRylZttk74bjzSHEZn535yEMF8xzasFzvdMGeGtiojIw$> >>>> >>>> >>>> >>>> -- >>>> 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 [email protected] >>>> >>>> https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!-kxOXmBmzd4IT5zyoXxRylZttk74bjzSHEZn535yEMF8xzasFzvdMGeGtiojIw$ >>> >>> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu >> <https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!5mLgfdbAhMNcXDC8xfiFWuGtQD86h03JV0he5gpcisCqG4XbAEVEmHl3uRpCog$> >> ) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> <https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!5mLgfdbAhMNcXDC8xfiFWuGtQD86h03JV0he5gpcisCqG4XbAEVEmHk9U4H7Dg$> > > > > -- > 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 [email protected] > > https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!5mLgfdbAhMNcXDC8xfiFWuGtQD86h03JV0he5gpcisCqG4XbAEVEmHk9U4H7Dg$
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