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*
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