[Wien] Segmentation fault in Supercell Calculation

[Laurence Marks]

You have what is called a "Segmentation Violation" which was detected by 4
of the nodes and they called an error handler which stopped the mpi job on
all the CPU's.

This is normally because you have an error of some sort in your input
files, any of case.in0, case.clmsum (and clmup/dn if you are using spin
polarized).

1) Check that you do not have overlapping spheres and/or other mistakes.
2) Check your error files, e.g. "cat *.error". Are any others (e.g.
dstart.error) not empty? Did you ignore an error during setup?
3) Check the lapw0 output in case.output0* -- maybe shows what is wrong.

There are many possible sources, you have to find the specific one.


On Tue, Jul 28, 2015 at 12:57 PM, Lan, Wangwei <wl13c at my.fsu.edu> wrote:

>  Dear WIEN2k user:
>
>
>  I am using wien2k_14.2 on CentOS release 5.8. ifort version 12.1.3 with
> MKL.
>
>
>
>  After generating a 2x2x1 supercell with 30 atoms, I tried to do the scf
> calculation. However, I got some errors. I'v attached it at the end of this
> email. My wien2k was installed correctly. It works well for other
> calculations. It also worked if I run non-parallel calculation for
> supercell. I'v searched the mail-list, but can't find any solutions. Could
> you give me a hint on how to solve the problem? Thank you very much.
>
>
>
>  Sincerely
>
> Wangwei Lan
>
>
>
>  On lapw0.error shows:
>
>
>
> 'Unknown' - SIGSEGV
>
>
>
>  On super.dayfile shows:
>
>
>  Child id           0 SIGSEGV
>
>  Child id           8 SIGSEGV
>
>  Child id          18 SIGSEGV
>
>  Child id          23 SIGSEGV
>
>  Child id          17 SIGSEGV
>
>
>
>  On Screen shows:
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> w2k_dispatch_signal(): received: Segmentation fault
>
> --------------------------------------------------------------------------
>
> MPI_ABORT was invoked on rank 18 in communicator MPI_COMM_WORLD
>
> with errorcode 451782144.
>
>
>  NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>
> You may or may not see output from other processes, depending on
>
> exactly when Open MPI kills them.
>
> --------------------------------------------------------------------------
>
> --------------------------------------------------------------------------
>
> mpirun has exited due to process rank 18 with PID 26388 on
>
> node corfu.magnet.fsu.edu exiting without calling "finalize". This may
>
> have caused other processes in the application to be
>
> terminated by signals sent by mpirun (as reported here).
>
> --------------------------------------------------------------------------
>
> [corfu.magnet.fsu.edu:26369] 23 more processes have sent help message
> help-mpi-api.txt / mpi-abort
>
> [corfu.magnet.fsu.edu:26369] Set MCA parameter "orte_base_help_aggregate"
> to 0 to see all help / error messages
>
>
>  >   stop error
>
>
>
>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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