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


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