[QE-users] Error on k dividi et impera

[Paolo Giannozzi]

Very strange. Can you please provide the input data?

Paolo

On Wed, Dec 18, 2019 at 8:04 AM Lorenzo Monacelli <
lorenzo.monacelli at roma1.infn.it> wrote:

> Dear QE user list,
>
> I'm facing the error when using n_pool parallelization that says that
> some processor has no k-point.
>
> I learned this error appears when the number of n_pool in the
> parallelization is not a good divisor of the total number of k-points in
> a calculation.
>
> However, in this nscf calculation I'm running I have 216 K points and
> I'm using 216 processors with npool = 108 (see the output)
>
> So I assume each pool should process 2 k points (I have no symmetry).
>
> However, the calculation stops with the error in the subroutine
> divide_et_impera related on the k point division.
>
> Is there some other constraint in the use of npool that I am not aware of?
>
> Bests,
>
> Lorenzo Monacelli
>
>
>
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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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