[QE-developers] [SUSPECT ATTACHMENT REMOVED] Error in routine divide_et_impera (1):

[Stefano de Gironcoli]

you are likely using kpoint parallelization (-nk $NK or -npool $NK,  
with $NK > 1) with just 1 kpoint (11100)

stefano

On 01/05/20 15:33, Abdulla Bin Afif wrote:
>
> Hi,
>
> When I do scf calculation on an organometallic TMA 
> (trimethylaluminium), I am getting some error. The scf calculation is 
> needed for vibration calculations, which will be the next step.
>
> For molecules we consider Kpoints 11100, with this its gives  the 
> below error and when the Kpoints are changed to 33300 there is no 
> error, I am not sure why it’s not working with 111000.
>
> I have a considered TMA as a molecule inside a unit cell of 15A.
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      Error in routine divide_et_impera (1):
>
> some nodes have no k-points
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Thanks and Regards,
>
> Abdulla Bin Afif
>
> Ph.D. Candidate
>
> Norwegian University of Science and Technology (NTNU)
>
> MTP - Department of Mechanical and Industrial Engineering
>
> Richard Birkelandsvei 2b
>
> NO-7491 Trondheim. Norway
>
> Email: _abdulla.binafif at ntnu.no <mailto:abdulla.binafif at ntnu.no>_
>
> Mobil: +47 41348358
>
>
>
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