[Wien] Error in elastic calculations

[Gavin Abo]

There is not enough information given to be of much help.

If its failing on one of the .struct files, you might take the 
problematic .struct from the elastic directory and create a new 
calculation directory for it (renaming the .struct to the new 
calculation directory's name).  Then, you could run that .struct through 
the initialize calc. steps (x nn, x sgroup, x symmetry, etc.) to analyze 
if there are any problems before or during x dstart with that particular 
.struct file.

If it is caused by a program issue, there could be other messages that 
can help with troubleshooting the issue.  For example, if you used the 
gfortran compiler, there might be a Fortran runtime error and/or 
Backtrace like in the past post at [1].  If using the Intel compiler, it 
could be a forrtl traceback message like seen in the post at [2].  If 
you didn't use the recommended compiler settings in siteconfig but your 
own optimized and tailored settings, it could be that compiler options 
are missing for getting the traceback messages.  For the Intel compiler, 
for example, there is the -traceback option that is needed [3].

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22206.html
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19270.html
[3] 
https://www.intel.com/content/www/us/en/docs/fortran-compiler/developer-guide-reference/2025-1/traceback-002.html

Kind Regards,

Gavin
WIEN2k user

On 5/8/2025 12:33 PM, evren görkem özdemir wrote:
>
>     Dear Morteza,
>     Thank you very much for your answer and interest. I installed the
>     latest version of Wien2k on my computer. I performed the base case
>     calculations of the material I was working on. When I wanted to
>     perform elastic calculations, I received the following error
>     "dstart crashed!".
>
>     **dstart crashed!
>     cat: No match.
>     error: command /home/ego/desktop/Wien2k/dstartpara dstart.def   failed
>
>     error: command /home/ego/desktop/Wien2k/clmaddsub clmaddsub.def  
>  failed
>
>     error: command /home/ego/desktop/Wien2k/dstartpara -up
>     updstart.def   failed
>
>     error: command /home/ego/desktop/Wien2k/clmaddsub upclmaddsub.def  
>  failed
>
>     error: command /home/ego/desktop/Wien2k/dstartpara -dndstart.def
>      failed
>     error: command /home/ego/desktop/Wien2k/clmaddsub dnclmaddsub.def 
>      failed
>
>     I would be very happy if you could help me fix this mistake.
>
>     Best regards.
>     Görkem.
>
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