[QE-users] [EXT] Re: SMEARING creating segmentation fault

[Andreussi, Oliviero]

In case you are trying to run QE-6.8 under windows using gfortran and WSL, there is a known bug of gfortran under WSL that only affects 6.8 when running smearing calculations. The solution is reported in the QE wiki.

Oliviero Andreussi
--
Assistant Professor
Department of Physics
University of North Texas
Email: oliviero.andreussi at unt.edu<mailto:oliviero.andreussi at unt.edu>
Phone: +1-(940)-369-5316
Skype: olivieroandreussi
Web: https://www.materialab.org

On Nov 28, 2021, at 8:52 PM, Oliver Generalao <oliver.b.generalao at gmail.com<mailto:oliver.b.generalao at gmail.com>> wrote:

Context: I encountered this error way back in 2016-2017.

If this is your first time to encounter this issue after compiling QE, it is more likely that there were errors thrown during compilation (you may need to check the compilation logs)
or you can run QE (pw.x) in debug mode to see more details on the error.

On Mon, Nov 29, 2021 at 10:04 AM kenneth senados <kenneth.senados at ustp.edu.ph<mailto:kenneth.senados at ustp.edu.ph>> wrote:
Good day! I Need help with the segmentation fault encountered while running examples in Tutorial 2016 in QE 6.8. The file is Tutorial 2016 > DAY1-TOTAL_ENERGY > PART 4. This is the one for aluminum.
In the &SYSTEM part of an scf input file, I noticed that

&SYSTEM
.
.
occupations='smearing'


Results to Segmentation Faults like the one below

--------------------------------------------------------------------------
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x7f23eb2d0d21 in ???
#1  0x7f23eb2cfef5 in ???
#0  0x7f2e76550d21 in ???
#1  0x7f2e7654fef5 in ???
#0  0x7f4640c80d21 in ???
#1  0x7f4640c7fef5 in ???
#0  0x7f87c9b40d21 in ???
#1  0x7f87c9b3fef5 in ???
#2  0x7f2e761a620f in ???
#3  0x7fffc7f775fc in ???
#2  0x7f46408d620f in ???
#3  0x7fffd5b72ecc in ???
#2  0x7f87c979620f in ???
#3  0x7ffff9d81c8c in ???
#2  0x7f23eaf2620f in ???
#3  0x7fffc936f96c in ???
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------


when smearing is removed, the code runs well.

Hope you can help me.

Thank you!

Ken

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