[QE-users] Problems with DFT + U Calculations: Fatal error in PMPI_Bcast

[Paolo Giannozzi]

Does it happen in the last step, after a message like 'A final scf
calculation at the relaxed structure' or 'lsda relaxation :  a final
configuration with zero'? or in the middle of the run? in the latter case,
it is impossible to say anything unless the error is reproducible

Paolo

On Mon, Oct 22, 2018 at 12:13 PM arini kar <arini.kar at gmail.com> wrote:

> Dear Sir,
>
> I am using QE v6.3Max for the simulations.
>
> Regards
> Arini Kar
> M.Sc.-Ph.D.
> IIT Bombay
> India
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-- 
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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