Please provide an input that can be run Paolo
On Fri, Sep 8, 2017 at 2:20 PM, Madhurya Chandel <madhurya.sv...@gmail.com> wrote: > Hello users/admin > > I have run the input file on quantum espresso and received an error. > > [f2013877@kosambi Madhurya]$ pw.x < copperferrite.pw.in > > copperferrite.pw.out > forrtl: severe (24): end-of-file during read, unit 27, file > /home/f2013877/QE/Madhurya/pwscf.update > Image PC Routine Line Source > pw.x 0000000000B8E509 Unknown Unknown Unknown > pw.x 0000000000BC68CD Unknown Unknown Unknown > pw.x 0000000000BC492E Unknown Unknown Unknown > pw.x 000000000044061C extrapolation_mp_ 63 > update_pot.f90 > pw.x 000000000040679A run_pwscf_ 146 > run_pwscf.f90 > pw.x 00000000004064A5 MAIN__ 30 > pwscf.f90 > pw.x 000000000040641E Unknown Unknown Unknown > libc.so.6 00007FF3CA052B15 Unknown Unknown Unknown > pw.x 0000000000406329 Unknown Unknown Unknown > > In pwscf.update file these are the values 3 > 2.799167041296980E-004 -2.799167041296973E-004 -2.799167041296973E-004 > -0.595671807015039 0.595671807015038 0.595671807015039 > -0.368452359764550 0.368452359764549 0.368452359764550 > 2.868608420230203E-004 -2.868608420230199E-004 -2.868608420230198E-004 > -0.603721350014643 0.603721350014643 0.603721350014643 > -0.373588284611745 0.373588284611745 0.373588284611745 > 3.284196913208758E-004 -3.284196913208754E-004 -3.284196913208754E-004 > -0.609073472633550 0.609073472633550 0.609073472633550 > -0.377057019143614 0.377057019143614 0.377057019143614 > > I checked oN FAQ but not able to solve the error. > > My query is that I am getting pwscf.update file with directory location > along with the dialog > *forrtl: severe (24): end-of-file during read, unit 27, file > /home/f2013877/QE/Madhurya/pwscf.update*In the output file it's showing > that molecule has achieved the convergence but at the end, it's not showing > JOB DONE dialog. As per my knowledge, once the run complete, it must show > JOB DONE dialog. > > > Please help me to solve the error. > Thanking you > > With regards > -- > > *Madhurya Chandel* > > *Research Scholar * > > *Department of Chemistry * > > *BITS PILANI, GOA campus* > > *+91-7507546773 <+91%2075075%2046773>* > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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