[QE-users] neb bug?
Aleksandra Oranskaia
aleksandra.oranskaia at kaust.edu.sa
Sat May 1 20:18:23 CEST 2021
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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