[Wien] Program stop at orb - 2

[Wenhui Xie]

Dear Prof. Blaha,

Two days ago I send a mail to report the problem in WIEN2K, however
it is clearly. Now we can give more details.

We run the lastest WIEN2K_03 package on an IBM p690 computer with AIX5.1 
OS and xlf90 fortran compiler. For the compiler parameters we use defaulte 
just change qarch=pwr3 to qarch=pwr4 to fit the CPU chips. The shell
evironment is csh shell. 

We find that the script runsp_lapw is not compatibility with our IBM system.  
the structure "if (-s..)" can not work in our system.


At 232 line of runsp_lapw script, "if (-s..)" in section orb make 
program terminate. Because we do not think about -so, it seems
safe to comment it. After that we can run the single model by "runsp_lapw -orb". 

However, we do not execute parallel model untill now. 
If we run "runsp_lapw -orb -p", the program stop at sumpara process of lapwdm.
*******************************************
% runsp_lapw -p -orb
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP LAPW2 - FERMI; weighs written
STOP  LAPW2 END
STOP  LAPW2 END
STOP  SUMPARA END
STOP  SUMPARA END
STOP LAPW2 - FERMI; weighs written
STOP  LAPW2 END
STOP  LAPW2 END
STOP  SUMPARA END
STOP  SUMPARA END
STOP LAPWDM END
STOP LAPWDM END
**************************************

We have traced into and find program stop at 281 line of lapwdmpara script:

$bin/sumpara $def2.def $maxproc

similarly, it also happens at 290 line for spin-dn case:

In the *dayfile there is some error message( start and end with star lines):
*****************************************************************
>   lapwdm -up -p  -c   (22:29:42) running LAPWDM in parallel mode
machines: localhost localhost
Setting up case hub for parallel execution
of LAPWDM
creating uplapwdm_*.def:  1 2  
starting process:  
prepare 1 on localhost
prepare 2 on localhost
waiting for processes:  
      localhost 0.0u 0.0s 0:00 25% 185+1886k 0+0io 14pf+0w
      localhost 0.0u 0.0s 0:00 20% 174+1731k 0+0io 9pf+0w
   Summary of lapwdmpara:
   localhost     user=0  wallclock=45
/u/xiewh/src/wien2k_06, upsumpara, 2
Segmentation fault (core dumped)
**  LAPWDM crashed!
0.1u 0.4s 0:04 13% 73+455k 0+0io 81pf+0w
**********************************************************************


Would you tell me how to deal with it?
Thank you very much.

Yours sincerely 
Wenhui Xie