Try to replace outdir='./out/' with with outdir='out'. Opening files in Windows is by far the most serious source of trouble.
Paolo On Sat, Jan 16, 2021 at 3:07 AM precious Ekwere <[email protected]> wrote: > Thank you for your email. > > Yes I use windows 10 > > And my QE is v 6.4.1 > > Thank you > Precious > > On Fri, Jan 15, 2021, 1:45 PM Paolo Giannozzi <[email protected]> > wrote: > >> Are you by any chance running on Windows? which QE version? >> >> Paolo >> >> On Fri, Jan 15, 2021 at 11:59 AM precious Ekwere < >> [email protected]> wrote: >> >>> Good day all, >>> >>> >>> >>> I am very new to computational chemistry and have just downloaded QE I >>> tried to run an SCI calculation with the attached input script but keep >>> getting the error message >>> >>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>> Error in routine seqopn (99): >>> error opening ./out/\aiida.save\paw.txt >>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>> >>> I also tried to run relax following a youtube video, and I am getting >>> this error message. >>> >>> >>> >>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>> >>> Error in routine seqopn (99): >>> >>> error opening ./out/\aiida.save\paw.txt >>> >>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>> >>> I do not have an idea how to resolve this, and will appreciate your help. >>> >>> >>> >>> Regards, >>> >>> Precious Ekwere >>> >>> >>> _______________________________________________ >>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >>> users mailing list [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> >> -- >> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, >> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy >> Phone +39-0432-558216, fax +39-0432-558222 >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
