[Wien] New findings on the lapw0 seg fault core dump error

[Peter Blaha]

What was your   OMP_NUM_THREADS variable ?

Set it to 1, 2, ... and check if the error occurs again.

Am 06.06.2025 um 14:07 schrieb Michael Fechtelkord via Wien:
> I debugged the core-dump file with gdb and using debugging symbols in 
> compilation of lapw0.
> 
> The debugger gave me the line which causes the coredump
> 
> _----------------------------------------
> 
> Debuginfod has been enabled.
> To make this setting permanent, add 'set debuginfod enabled on' to .gdbinit.
> [Thread debugging using libthread_db enabled]
> Using host libthread_db library "/lib64/libthread_db.so.1".
> Core was generated by `/usr/local/WIEN2k/lapw0 lapw0.def'.
> Program terminated with signal SIGSEGV, Segmentation fault.
> 
> #0  0x000000000048b89b in 
> MAIN__.DIR.OMP.PARALLEL.LOOP.12.split63842.split63939 ()*at lapw0.F:1649*
> 
> *1649    !$omp parallel do reduction(+:rhopw00,cwk,cvout) &*
> 
> 
> [Current thread is 1 (Thread 0x14823edbe740 (LWP 339344))]
> 
> ------------------------------------
> 
> Maybe somebody has an idea how to fix it..
> 
> 
> Best regards
> 
> Michael
> 
> 
> Am 17.05.2025 um 13:48 schrieb Michael Fechtelkord via Wien:
>> Hello everybody,
>>
>>
>> I have new results considering the lapw0 crash which happens partially 
>> (segmentation fault error - core dump).
>>
>> It seems that the crucial thing is the case.clmsum file. (I am no 
>> expert here) But if this is somehow the key. It can produce the lapw0 
>> so it might be that it is sometimes triggering the lapw0.
>>
>> I calculated MgF2 and substituted the new generated clmsum by an older 
>> one and then there was no crash. I cannot attach them because the file 
>> size is too large.
>>
>>
>> I am not so into debugging, to find out why and where it happens.
>>
>>
>> Best regards,
>>
>> Michael
>>
>>
> -- 
> Dr. Michael Fechtelkord
> 
> Institut für Geologie, Mineralogie und Geophysik
> Ruhr-Universität Bochum
> Universitätsstr. 150
> D-44780 Bochum
> 
> Phone: +49 (234) 32-24380
> Fax:  +49 (234) 32-04380
> Email:Michael.Fechtelkord at ruhr-uni-bochum.de
> Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
> 
> 
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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