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

Mon Nov 29 06:21:49 CET 2021

Thank you Oliviero Andreusii.

I already tried execstack however, segmentation fault issue with smearing
still exists.

Ken

On Mon, Nov 29, 2021 at 1:01 PM Andreussi, Oliviero <
Oliviero.Andreussi at unt.edu> wrote:

> I am not sure the bug solution is easy to find, here are the details
> (thanks to Edan Bainglass): you need to install exectstack
>
> sudo apt-get install execstack
>
> And apply it to the QE executables:
>
> sudo execstack -s “path-to-executable”
>
> Where path-to-executable points to the relevant QE executables in the
> QE/bin directory.
>
> Best,
>
> Oliviero Andreussi
> --
> Assistant Professor
> Department of Physics
> University of North Texas
> Email: oliviero.andreussi at unt.edu <oliviero.andreussi at unt.edu>
> Phone: +1-(940)-369-5316
> Skype: olivieroandreussi
> Web: https://www.materialab.org
>
> On Nov 28, 2021, at 9:47 PM, kenneth senados <kenneth.senados at ustp.edu.ph>
> wrote:
>
> Thank you Oliviero Andreussi. This makes sense. I am indeed using WSL.
> I'll look into this.
>
> Ken
>
> On Mon, Nov 29, 2021, 12:04 PM Andreussi, Oliviero <
> Oliviero.Andreussi at unt.edu> wrote:
>
>> 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 <oliviero.andreussi at unt.edu>
>> Phone: +1-(940)-369-5316
>> Skype: olivieroandreussi
>> Web: https://www.materialab.org
>> <https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.materialab.org%2F&data=04%7C01%7Coliviero.andreussi%40unt.edu%7Cba2ce8ebdda24b0ee6d308d9b2eb01cd%7C70de199207c6480fa318a1afcba03983%7C0%7C0%7C637737545754807765%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=99G33aiQwmPC%2Bv9zFuclH%2FaK7lIsJi0Brb5AjSlpmcM%3D&reserved=0>
>>
>> On Nov 28, 2021, at 8:52 PM, Oliver Generalao <
>> 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> 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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