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

[arini kar]

Dear Sir,

The error arises in the middle during any scf iteration. In some of the
calculations, the error arises during the last scf calculation while in
some other it arises in the middle of the run.

Is it due to some issues with parallelization? If so then what would be the
appropriate parallelization? I am currently using the default
parallelization.

Regards
Arini Kar
M.Sc.-Ph.D.
IIT Bombay
India
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