[Wien] Segmentation fault (core dumped)

[Gavin Abo]

There unfortunately can be multiple causes for "Segmentation fault (core 
dumped)".  With the information given, there is not enough information 
to narrow down what is causing it.

It looks like it probably crashed during lapw0.  While I can only guess 
it was lapw0, I suspect you could see on your computer system if that 
was what failed.

One possible cause might be running from a previously corrupted 
calculation.  You could try removing all the files in TiC folder except 
for the TiC.struct file.  However, you will want to check that your 
structure parameters match with want is given in the WIEN2k usersguide.  
Else, you might want to delete that file too, and then enter the 
parameters from the usersguide in StructGen again.

Since you likely have different computer hardware than I do, another 
possible cause could be over-optimization by the Intel compilers (ifx, 
icx) for you.  If you used the recommended level 2 optimization during 
siteconfig of -O (or -O2), a potential solution might be to recompile it 
with the lowest optimization level of -O0.

Another possibility could be due to a bug with Intel compiler version 
that you are using.  If available to you, updating to a newer version or 
falling back on an older version might solve it. Or changing to a 
different compiler such as the GNU compilers (gfortran, gcc) might be a 
solution.

As seen at [1], there is a possibility that it could be caused by a bug 
with the operating system kernel.  Updating to a newer kernel version, 
if available, or using a different Linux distribution [2] might be a 
solution.

Finally, it could be caused by something else.

If the above doesn't help and you have someone at your location that is 
experienced with Linux computer systems such as system administrator or 
computer science professor, they may be able to help you with resolving 
that error.

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23676.html
[2] https://en.wikipedia.org/wiki/List_of_Linux_distributions

Kind Regards,

Gavin
WIEN2k user

On 5/8/2025 3:06 AM, Peeyush Kumar Kamlesh wrote:
> Dear WIEN2k Community
> After installing the WIEN2k24.1, I was running the TiC test case.
> After its successful initialization, when I run "run_lapw -ec 0.0001 
> -cc 0.001 -NI", I found the following message in the terminal:
>
> Segmentation fault (core dumped)
> grep: *scf1*: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw1*.error: No such file or directory
> grep: lapw1*.error: No such file or directory
>
> >   stop error
>
> Can you suggest to me, where am I wrong?
>
> Peeyush Kamlesh