Hi Yambos,
I follow the instruction for ypp -k k. I am on the step with Yambo calculating
generic points from 7 to 16 (6 were regular). I copied ndb.pp.* files from the
regular-grid GW calculations and obtained what is in written in the tutorial
" [05] Dynamic Dielectric Matrix (PPA)
====================================
[WARNING]Wrong serial number for ./SAVE//ndb.pp
[RD./SAVE//ndb.pp]------------------------------------------"
and later some info which is normal.
Unfortunatelly, at the end my calculations are hanging (for a few hours)
with an ERROR
CpuTiming [Min/Max/Average]: 09m-31s/09m-31s/09m-31s
[06] Bare local and non-local Exchange-Correlation
==================================================
[EXS] Plane waves : 19653
QP @ K 007 - 016 : b 073 - 080
[WF] Performing Wave-Functions I/O from ./SAVE
[FFT-HF/Rho] Mesh size: 75 75 12
[WF loader] Normalization (few states) min/max :0.223E-09 0.999
[ERROR] STOP signal received while in :[06] Bare local and non-local Exchange-Correlation
[ERROR]EMPTY WF index @ b:1 k:0 spin:1 ID:0
I killed the jobs. What should I do now?
Best regards,
Gosia Wierzbowska
error in yambo reading files after ypp -k k
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani
- malwi
- Posts: 38
- Joined: Mon Feb 29, 2016 1:00 pm
error in yambo reading files after ypp -k k
dr hab. Małgorzata Wierzbowska, Prof. IHPP PAS
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: error in yambo reading files after ypp -k k
Hi Gosia,
can you please post the report files of your calculation?
Best,
Daniele
can you please post the report files of your calculation?
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
- malwi
- Posts: 38
- Joined: Mon Feb 29, 2016 1:00 pm
Re: error in yambo reading files after ypp -k k
Hi Daniele,
thank you.
I made a short test for this (C wire)
The error is in slurm-error file (job hangs)
Reports and inputs attached.
Gosia
thank you.
I made a short test for this (C wire)
The error is in slurm-error file (job hangs)
Reports and inputs attached.
Gosia
You do not have the required permissions to view the files attached to this post.
dr hab. Małgorzata Wierzbowska, Prof. IHPP PAS
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: error in yambo reading files after ypp -k k
Thank you Gosia for reporting,
I will try to reproduce the error and fix it as soon as possible.
Best,
Daniele
I will try to reproduce the error and fix it as soon as possible.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: error in yambo reading files after ypp -k k
Hi Gosia,
could please also post the ypp input file you used to generate generic points and the yambo input for the GW on the second run (extended points).
Thanks,
Daniele
could please also post the ypp input file you used to generate generic points and the yambo input for the GW on the second run (extended points).
Thanks,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
- malwi
- Posts: 38
- Joined: Mon Feb 29, 2016 1:00 pm
Re: error in yambo reading files after ypp -k k
Thank you Daniele very much.
Here are the inputs.
Here are the inputs.
You do not have the required permissions to view the files attached to this post.
dr hab. Małgorzata Wierzbowska, Prof. IHPP PAS
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland
Institute of High Pressure Physics Polish Academy of Sciences
Warsaw, Poland