Si(Electron-Phonon): Segmentation fault (core dumped)

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Si(Electron-Phonon): Segmentation fault (core dumped)

Postby Bruce » Wed Sep 26, 2018 5:11 pm

Dear everybody:

I used tutorial/si/elph_pw_si.py to learn how to calculate the El-Ph correlation of the Si. All running of the qe tasks were successful, but when the script was running to the third last line (cd elphon ; yambo_ph -F init.in), errors occurred:
errors.txt
.
Then I commented the last three lines and cleaned the files, re-running the script elph_pw_si.py. no error occurred.
I entered directory elphon and input command >yambo_ph -F init.in mannually, the same error information occurred as above. However, if I repeat the command 1 or 2 times, errors disappeared (sometimes not worked)and the following 2 commands (ypp_ph -g; ypp_ph) from the script were OK, database files SAVE/ndb.elph_gkkp* obtained.
Finally, the running of the script tutorial/si/elph_qp_si.py also was OK, and I got the file o-qp-0K.qp.

I don't know whether the error still hid in the calculations (if references outputs exist will be better). Could someone tell me why that error occured and disappeared just by repeating the command? How can I really fix the error ?

QE_version = 6.2.0, Yambo_version=4.2.3

________________________________________________________________
Bruce Mu
University of Science and Technology of China
Bruce Mu
Hefei National Laboratory for Physical Science at the Microscale
University of Science and Technology of China
Bruce
 
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Re: Si(Electron-Phonon): Segmentation fault (core dumped)

Postby Bruce » Thu Sep 27, 2018 2:45 pm

this is a package of my input files.
It's seems big files cannot be uploaded,so database files are not included.
You do not have the required permissions to view the files attached to this post.
Bruce Mu
Hefei National Laboratory for Physical Science at the Microscale
University of Science and Technology of China
Bruce
 
Posts: 2
Joined: Mon Sep 17, 2018 8:06 am

Re: Si(Electron-Phonon): Segmentation fault (core dumped)

Postby amolina » Mon Oct 15, 2018 8:53 am

Hi,
can you try with QE 5.1 and Yambo 4.1.2?
Cheers,
A
Alejandro Molina-Sánchez
Physics and Materials Research Unit
Campus Limpertsberg
Université du Luxembourg
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amolina
 
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Location: Luxembourg


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