[QE-users] neb bug?

Paolo Giannozzi p.giannozzi at gmail.com
Sun May 2 09:30:57 CEST 2021


On Sat, May 1, 2021 at 8:18 PM Aleksandra Oranskaia <
aleksandra.oranskaia at kaust.edu.sa> wrote:

>
> I am calculating neb (from qe-6.4.1) [...] 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?
>

it's a known problem: https://gitlab.com/QEF/q-e/-/issues/95

PS When replying please instruct on how I should reply back on a specific
> topic.
>

???

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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