ypp_ph giving segmentation fault at ELPH databases: transfer and I/O step

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dmurphy
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ypp_ph giving segmentation fault at ELPH databases: transfer and I/O step

Post by dmurphy » Thu Oct 14, 2021 2:31 pm

Hello,
I'm having an issue using ypp_ph for a metallic system, TiN. I'm using ypp_ph -g to create the gkkp DBs and I get a segmentation fault at the 'ELPH databases: transfer and I/O' step. I've tried to recompile yambo with no openmp, --enable-lin-alg and get the same error at the same point. I've also used a different machine (unsure of config but normally no issues) and again, segmentation fault at ELPH DB step.
I've also tried this for specifying the q-grid (as in the tutorial) and for a regular q-grid, same segmentation fault.

I also have to specify BSEScatt and BSE K-grids in the when setting up the DB with yambo_ph otherwise I get an another error, but that seems to work fine.

The Si tutorial for el-ph coupling works without any issues so I'm wondering what could be causing the segmentation fault? As the system is metallic are there any extra/increased parameters I need to be aware of? Or is there a particular configuration step I need to do?
I have attached the pw.x & yambo inputs to this message, you should be able to run them without issue. The pseudo dir for the QE calculations should be in the folder above where the pw.x/ph.x inputs are running.
Thank you!
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Daniel Murphy
PhD Student
Queen's University Belfast

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claudio
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Re: ypp_ph giving segmentation fault at ELPH databases: transfer and I/O step

Post by claudio » Fri Oct 15, 2021 9:08 am

Dear Daniel

may you upload your inputs, in such a way I can try to reproduce your error

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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claudio
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Re: ypp_ph giving segmentation fault at ELPH databases: transfer and I/O step

Post by claudio » Fri Oct 15, 2021 10:00 am

Dear Daniel

I notice you already posted inputs..... I will check them

claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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