Hi Paolo,
I have faced this problem in versions 6 and 6.2 if i compile them using gnu compilers and with intel mkl. The problem exists in projwfc executable and when running relativistic calculations.
To circumvent this problem, I compiled qe with GNU compilers using the netlib math library. I use the compiled projwfc executable for any relativistic related calculations; e.g. projected DOS and k resolved DOS. Pw.x related computations works fine.
Yasser Al Wahedi
Khalifa University
Assistant Professor
From: Paolo Giannozzi
Sent: Friday, 9 February, 15:14
Subject: Re: [Pw_forum] "Segmentation fault" Error in KDOS
To: PWSCF Forum
On Mon, Jan 29, 2018 at 8:54 AM, Mohammed Ghadiyali <[email protected]> wrote:
This error only occurs if I am performing KDOS calculation along with spin-orbital coupling.
[...] Quantum ESPRESSO version 5.4.0
that's almost two years old. Any evidence that the problem persists in more recent QE versions?
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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