error in yambo reading files after ypp -k k

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error in yambo reading files after ypp -k k

Postby malwi » Tue Aug 23, 2016 12:26 pm

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
Małgorzata Wierzbowska
Institute of Physics, Polish Academy of Sciences
Warsaw, Poland
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malwi
 
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Re: error in yambo reading files after ypp -k k

Postby Daniele Varsano » Wed Aug 24, 2016 3:02 pm

Hi Gosia,
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/
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Re: error in yambo reading files after ypp -k k

Postby malwi » Wed Aug 24, 2016 7:17 pm

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
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Małgorzata Wierzbowska
Institute of Physics, Polish Academy of Sciences
Warsaw, Poland
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malwi
 
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Re: error in yambo reading files after ypp -k k

Postby Daniele Varsano » Mon Aug 29, 2016 11:06 am

Thank you Gosia for reporting,
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/
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Re: error in yambo reading files after ypp -k k

Postby Daniele Varsano » Fri Sep 02, 2016 5:28 pm

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
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/
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Re: error in yambo reading files after ypp -k k

Postby malwi » Fri Sep 02, 2016 6:22 pm

Thank you Daniele very much.
Here are the inputs.
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Małgorzata Wierzbowska
Institute of Physics, Polish Academy of Sciences
Warsaw, Poland
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