[QE-users] neb bug?

[Lorenzo Paulatto]

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>
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--
Lorenzo Paulatto - Paris
On May 1 2021, at 8:18 pm, Aleksandra Oranskaia <aleksandra.oranskaia at kaust.edu.sa> wrote:
> Hi dear users and developers,
>
> I am calculating neb (from qe-6.4.1) for a system of 54 electrons, asking for 34 bands (i.e. that qe considers 68 wfc).
> Every few steps calculation crashes with:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine read_wfc (29):
> cannot open restart file /scratch/...../...save/wfc81 for reading
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
> Is that a bug? If not, what info should i get from this kind of crash?
> PS When replying please instruct on how I should reply back on a specific topic.
>
>
> Thank you!
> Al.
>
>
>
>
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