Can anyone help me to get rid of this error while running nscf calculations in Quantum Espresso?

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Roberto D'Agosta

Dear Manoharan,

Can you please specify which version of QE and the machine you are using? There it was a problem but for a quite old version of QE

http://qe-forge.org/pipermail/pw_forum/2007-August/081583.html

Cheers,

Roberto

Kamaraj Manokaran

Dear Sir,

Thank you very much for your reply... i am using 4.1.2 version of QE with Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz machine. same input file is running well with 5.1.1 QE version. i want to add another point here.. i am working with QE 4.1.2 last two years. but i got these type of error recently..

Filipe Camargo Dalmatti Alves Lima

Can you try to run just a SCF using the restart? I guess the error might be caused by a restart file corrupted. If the SCF also doesn't run, you should take the optimized configuration and run it again.

i will try it and let you know sir.. i already restarted vc-relax calculations many times.. its running well.. i will try it (scf) sir...

Dear Alves Lima,

SCF calculation is running well while restating. no issues with scf calculations. Any other way to trace out the problem?

Thanking you for your reply...