[Wien] LAPW2 CRASHED OBSERVED in parallel mode

Madhav Ghimire ghimire.mpg at gmail.com
Wed Apr 4 10:20:19 CEST 2012


Dear wien developers and users
   When running the calculations for a layered perovskites including both U
value and spin-orbit coupling, I get an error in LAPW2 as LAPW2 crashed.
The error appears something like this on case.dayfile
    r6i3n6 5.272u 0.424s 0:05.75 98.9% 0+0k 0+0io 0pf+0w
      r6i3n6 5.296u 0.424s 0:05.76 99.1% 0+0k 0+0io 0pf+0w
   Summary of lapw2para:
   r6i3n6     user=453.968     wallclock=465.99
   r6i3n7     user=429.956     wallclock=439.77
   r6i3n12     user=438.872     wallclock=449.03
   r8i2n9     user=447.128     wallclock=457.32
4.608u 2.968s 2:24.59 5.2%    0+0k 0+0io 0pf+0w
>   lapw2 -c -dn -so -p      (16:29:16) running LAPW2 in parallel mode
**  LAPW2 crashed!
1.532u 1.832s 2:19.33 2.4%    0+0k 0+0io 0pf+0w
error: command   /home/ghimire123/WIEN2k_11/lapw2cpara -dn -c -so
dnlapw2.def   failed

Similarly when I checked the error file, the error appeared as (note: dot
(.....) after LAPWSO indicates LAPW2 END).
....................
 LAPWSO END
LAPWSO END
LAPW2 - FERMI; weighs written
 LAPW2 END
 ................
 LAPW2 END
 LAPW2 END
 SUMPARA END
LAPW2 - FERMI; weighs written
 LAPW2 END
 ..................
 LAPW2 END
L2main - QTL-B Error
 LAPW2 END
 .................
LAPW2 END
L2main - QTL-B Error
 LAPW2 END
 .................
 LAPW2 END
 LAPW2 END
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory

I have submitted the similar kind of error for lapwso for which I did not
get any prompt reply.
This happens when I am running the program in parallel mode. In serial
mode, it works fine but becomes very slow.
Please help me to solve this matter.
Thank you in advance
Best wishes

-- 
M. P. Ghimire
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