[Wien] Segmentation fault in Kgen

[Gavin Abo]

If "morning" in your sentence below means that you shutdown your system 
at the end of the day and start it up in the morning, a possibility 
might be that your memory is being exhausted and was freed making it 
available again by the system reboot.

You could be read about memory exhaustion, insufficient RAM memory, and 
other segmentation fault causes at the following three links:

Possible Cause #2-prime: Stack Exhaustion Due to Heap or General Memory 
Exhaustion: 
https://software.intel.com/content/www/us/en/develop/articles/determining-root-cause-of-sigsegv-or-sigbus-errors.html

Check shell limits:https://kb.iu.edu/d/aqsj

Insufficient RAM memory: 
http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html

On 5/14/2020 5:17 AM, shamik wrote:
> Dear Gavin,
>
>                The problem is solved, but, how I don't know. I have 
> just re do the initilization in this morning, & it works.  I have 
> encountered the similar problems before. Sometimes it is not working 
> while sometimes it works...I have no clue why & how such thing 
> happens..........
>
> with regards,
>
> On Thu, 14 May 2020 at 06:48, Gavin wrote:
>
>     Currently, I'm using the source code package WIEN2k_19.2.tar from
>     the Code download [1] area of the WIEN2k website but with the
>     WIEN2k_VERSION.patch at [2] that adjusts the WIEN2k_VERSION file
>     from having version 19.1 to match the version 19.2 information
>     given on the WIEN2k website.  The Segmentation fault error seems
>     to be particular to your system (Linux operating system, Fortran
>     compiler, etc.) as I was NOT able to reproduce the error as seen
>     below:
>
>     username at computername:~/wiendata/NiSbO4_V_14$ lsb_release -a
>     No LSB modules are available.
>     Distributor ID:    Ubuntu
>     Description:    Ubuntu 20.04 LTS
>     Release:    20.04
>     Codename:    focal
>     username at computername:~/wiendata/NiSbO4_V_14$ gfortran -v
>     ...
>     gcc version 9.3.0 (Ubuntu 9.3.0-10ubuntu2)
>     username at computername:~/wiendata/NiSbO4_V_14$ cat
>     $WIENROOT/WIEN2k_VERSION
>     WIEN2k_19.2 (Release 21/4/2020)
>     username at computername:~/wiendata/NiSbO4_V_14$ ls
>     NiSbO4_V_14.struct
>     username at computername:~/wiendata/NiSbO4_V_14$ init_lapw -b
>     ...
>       init_lapw finished ok
>     username at computername:~/wiendata/NiSbO4_V_14$ x kgen
>       NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3
>     divisions of G)
>     300
>      length of reciprocal lattice vectors:   0.656   0.674 0.763  
>     6.307   6.479   7.342
>       Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)
>     1
>               45  k-points generated, ndiv= 6           6           6
>     STOP KGEN ENDS
>     0.0u 0.0s 0:04.27 0.4% 0+0k 0+136io 0pf+0w
>
>     [1] http://www.wien2k.at/reg_user/index.html
>     [2] https://github.com/gsabo/WIEN2k-Patches/tree/master/19.2
>
>     On 5/13/2020 9:28 AM, shamik chakrabarti wrote:
>>     Dear Wien2k users,
>>                                    I have started simulation of
>>     NiSbO4 (structure attached). During initialization I got the
>>     following error (during x kgen):
>>
>>     Segmentation fault
>>     0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>>     error: command   /usr/local/Wien2k/kgen kgen.def failed
>>
>>     I have given total k-point 300 which should give 14 k-points in
>>     irbz. I have also prepare a fresh directory & did all the
>>     initialization properly, but getting the same results always.
>>
>>     Looking forward to your reply eagerly.
>>
>>     with regards,
>>
>>     -- 
>>     Dr. Shamik Chakrabarti
>>     Research Fellow
>>     Department of Physics
>>     Indian Institute of Technology Patna
>>     Bihta-801103
>>     Patna
>>     Bihar, India
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>
>
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
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