Estimating the run time for getting optical absorption
Posted: Fri Jan 29, 2021 7:14 am
Hello dear developers,
I am running the Yambo code for a 40-atom cell. As a first step I am trying to get the optical absorption and I use 12 cores in my computer, but after 2 days it hasn't made the output folder yet! and sticks in the stage of dipoles! Is it normal or something is wrong? (By the way its nscf took 4 days!)
Here are the last lines in my output now (from 2 days ago):
[04] Dipoles
============
[WARNING] DIPOLES database not correct or not present
[RD./SAVE//ns.kb_pp_pwscf]----------------------------------
Fragmentation :yes
- S/N 007450 -------------------------- v.04.05.03 r.09122 -
[WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
[WF-Oscillators/G space loader] Normalization (few states) min/max :0.982E-20 1.00
Thank you in advance @>-
I am running the Yambo code for a 40-atom cell. As a first step I am trying to get the optical absorption and I use 12 cores in my computer, but after 2 days it hasn't made the output folder yet! and sticks in the stage of dipoles! Is it normal or something is wrong? (By the way its nscf took 4 days!)
Here are the last lines in my output now (from 2 days ago):
[04] Dipoles
============
[WARNING] DIPOLES database not correct or not present
[RD./SAVE//ns.kb_pp_pwscf]----------------------------------
Fragmentation :yes
- S/N 007450 -------------------------- v.04.05.03 r.09122 -
[WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
[WF-Oscillators/G space loader] Normalization (few states) min/max :0.982E-20 1.00
Thank you in advance @>-