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issues for (nqf1, nqf2, nqf3) > (90,90,1) 
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Joined: Thu May 05, 2016 5:18 pm
Posts: 55
University: Rondonia university
Post issues for (nqf1, nqf2, nqf3) > (90,90,1)
Dear all,

I am trying to test the convergence of lambda w.r.t to the fine phonon grid. I have set my electronic grid to nkf1=90, nqf2=90, nqf3=1. When I try to start the calculations for a fine q grid higher than 90x 90 x 1, the code stops with a lot of "btr" files (I have no idea what these are!) and an error:

epw.x:24352 terminated with signal 11 at PC=ce14d7 SP=7fff7de70720. Backtrace:

epw.x:24353 terminated with signal 11 at PC=ce14d7 SP=7fff763d96a0. Backtrace:

epw.x:12895 terminated with signal 11 at PC=ce14d7 SP=7fff65650920. Backtrace:

.
.
.
.
(the list goes on)

Whta could the possile source of this error be?

Regards

_________________
Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia


Mon Oct 22, 2018 11:05 pm
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Joined: Thu May 05, 2016 5:18 pm
Posts: 55
University: Rondonia university
Post Re: issues for (nqf1, nqf2, nqf3) > (90,90,1)
It seems it worked when both nqf and nkf grids were set to 100 x 100 x 1 . The error simply disappeared!

Weird :-)

_________________
Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia


Mon Oct 22, 2018 11:11 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 522
University: Oxford
Post Re: issues for (nqf1, nqf2, nqf3) > (90,90,1)
Hello eliephys78,

Weird indeed. Probably a memory issue or instability on your cluster.

If you re-submit now a calculation with 90x90x1, does it still appears ?

Cheers,
Samuel

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Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Mon Oct 29, 2018 3:43 pm
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