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$
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