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error in ypp-s b
Posted: Thu Feb 13, 2014 1:03 pm
by FADWA
Dear all
I am new in this forum, I've calculated ypp -s b, but I'm getting this problems :
Code: Select all
-> [WF-WF loader] Wfs (re)loading |####################| [100%] --(E) --(X)
<-> [Interp] Number of shells for interpolation : 147
<-> [Interp] Max error = 0.00000083 average error = 0.00000028
<-> [WARNING]To have a smaller error in the interpolation compile yambo in double precision: --enable-dp
<-> Number of K-points in the circuit : 4
<-> [05] Game Over
Thanks in advance
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 1:26 pm
by Daniele Varsano
Dear Fadwa,
for the output you posted, I cannot see the problem. The code is reporting a warning (which is not an error) in the case you need a better precision and tells you to compile with the --enable-dp option. Did you get an output?
Best,
Daniele
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 1:59 pm
by FADWA
Dear Daniele
I tried with ./configure --enable-dp, but the problem didn't solve
PS: it didn't get me any output
Thank you for your reply
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 2:38 pm
by Daniele Varsano
Dear Fadwa,
please read the rules of the forum. In order to spot the problem, you should describe what you did and post all the files that can help us to spot the problem. Please post your ypp.in and the r_setup and the complete standard output. Anyway looks me strange that you do not have tile o.bands as from the standard output looks that the calculations finished without errors.
Best,
Daniele
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 3:30 pm
by FADWA
Dear Daniele
I redid installation of yambo, and I found the resultats, but I got the same problem. Attached are the related files.
resultats.zip
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 4:24 pm
by Daniele Varsano
Dear Fadwa,
sorry but I can't see what is your problem. You calculated your ground state for 10 kpoints, and ypp now is interpolating it on the path you asked in input file. From a quick look to the energies reported in the setup and the interpolated output it seems to me that it is working correctly. Beside the warning, the error in the interpolation is very small:
Of course the quality of the results will depend on your k point sampling and the setup of your ground state calculation.
May be I'm missing something but I can't get what is the problem.
Best,
Daniele
Re: error in ypp-s b
Posted: Thu Feb 13, 2014 4:45 pm
by FADWA
Ok,thank you
