Page 1 of 1
segment fault error in EPW 6.0 but not in 5.9
Posted: Wed Dec 24, 2025 7:41 pm
by tyj
Dear developer,
My job was finished with QE-7.3.1 and EPW 5.9 without error. Now I want to rerun the same job and test the new features in v6.0, ran with QE-v7.5, but it reports 'segmentation fault' error when I run it. Is there some change in the new version that causes this? The input/outputs of these two versions are attached below.
Best,
Yujia
Re: segment fault error in EPW 6.0 but not in 5.9
Posted: Mon Dec 29, 2025 4:06 am
by stiwari
Hello Yujia,
Did you run everything including phonon calculations using QE7.5 or you reused the output from QE7.3? I did not see a phonon calculation in your v6.0 folder.
Best regards,
Sabya.
Re: segment fault error in EPW 6.0 but not in 5.9
Posted: Fri Jan 02, 2026 2:20 am
by tyj
Dear Sabya,
I just reused the results from QE7.3 with EPW6.0 in my original attached file. The phonon calculation was done but I didn't attach it.
To avoid possible version incompatibility problem, I redid all the calculation with QE7.5 and EPW6.0, but the same error is still here. I attach the files of both phonon and epw calculation below. There're still plenty of free memory on the node, so it's strange that it reports segmentation fault error.
Best,
Yujia
Re: segment fault error in EPW 6.0 but not in 5.9
Posted: Sun Jan 04, 2026 11:35 pm
by stiwari
Hello Yujia,
I see, you are using PAW pseudopotential; Can you use ONCV/NC pseudopotential instead of PAW?
Best,
Sabya.
Re: segment fault error in EPW 6.0 but not in 5.9
Posted: Tue Jan 06, 2026 1:31 am
by tyj
Hi Sabya,
I changed two of my elements to ONCV, but one is still PAW, because I didn't find fully-relativistic ONCV/NC potential for rare-earth element. This is same as my original attached file. I redid the calculation and still doesn't work. I also tried USPP potential and has same problem with PAW (Not sure why I can't attach extra file during edit).
To check NC potential, I ran Pb wSOC example which uses NC pseudopotential, and it works.
So looks like EPW6.0 doesn't support PAW and USPP pseudopotential which caused the problem I have, but previous version like EPW5.8.1 supports? (The attachment epw 5.8 is the same input/ouput I attached at first).
I mainly want to use the q-point parallelization feature in v6.0, which could speed up the calculation a lot. Other results should be same. So in my case, where there's no NC/ONCV pseudopotential for rare-earth element, is there a way to use EPW6.0 or I can only use the previous versions?
Best,
Yujia