[Wien] lapwso

[Dr. B.R.Sahu]

Dear Wien2k users

   I have a spin-polarized selfconsistent calculation of 15 K and 1 Ti
supercell calculation.I wanted to introduce spin-orbit coupling after 
this so first did save_lapw to a directory. and then did the 
spin-orbit initialization using the script initso_lapw and then
runsp_lapw -so -p.

the code is compiled on IBM SP4(AIX compiler, xlf90 compiler, coarse
grained parallization).It's not an mpi(fine grained) parallalization
calculation.

the calculation uses 40 k-pt and 40 processors(one k-pt on each
processor).each processor has memory 2 GB.

In the first iteration itself, I get error in lapwso -up  -p I get the
error in terminal output(I have shown only few steps and not 40 of them
here) 

STOP LAPWSO END
STOP LAPWSO END
STOP LAPWSO END
STOP LAPWSO END
STOP LAPWSO END
STOP LAPWSO END
STOP LAPWSO END
Subscript out of range

and in the case.dayfile(here also I have shown few of the steps)


lapwso -up  -p      (07:51:57) running LAPWSO in parallel mode
      longhorn1 132.0u 1.1s 1:11:07 3% 245+161283k 0+0io 22791pf+0w
      longhorn1 134.1u 1.3s 1:13:18 3% 244+158485k 0+0io 23902pf+0w
      longhorn1 147.7u 1.3s 1:14:40 3% 241+144000k 0+0io 24494pf+0w
      longhorn1 128.5u 1.1s 1:14:33 2% 240+165636k 0+0io 24765pf+0w
      longhorn1 170.0u 1.5s 1:18:43 3% 232+125144k 0+0io 26377pf+0w
      longhorn1 179.6u 1.5s 1:21:00 3% 230+118488k 0+0io 26583pf+0w
      longhorn1 135.9u 1.4s 1:15:53 3% 237+156214k 0+0io 25765pf+0w
      longhorn1 158.8u 1.0s 1:20:04 3% 233+134259k 0+0io 26680pf+0w
      longhorn1 194.4u 1.3s 1:26:01 3% 228+109671k 0+0io 27885pf+0w
      longhorn1 167.8u 1.3s 1:25:31 3% 230+126934k 0+0io 28433pf+0w
       stop error



lapswo does write case.vectorso_*(40 for 40 processors) and  
case.outputso_*. but It stops with the above error.I checked

the lapwso.error file: 

**  Error in Parallel LAPWSO


I checked carefully for any possible mistake in the input files but to
the best of my knowledge I found none.

there are no other messages than the above which could indicate me for
possible mistakes.

Pl. let me know if I am doing something wrong?any suggestions?

regards
sahu