[Wien] lapw1 -p error

Bertoni Giovanni giovanni at cemes.fr
Tue Jan 6 10:34:42 CET 2004


dear Peter Blaha and all Wien2k users

I'm calculating a big cell (a=30 bohr) with about 40 atoms (about 10
inequivalents)
I have no problem with 1 k-point (no parallelization)
if I put 8 k-points (the minimum number kgen generates after 1 single k
point) on 2 processors (each processors calculates 4 k-points), i.e.
using two lapw1 in parallel, but I have this error (.dayfile):

   start       (Tue Jan  6 10:18:32 MET 2004) with lapw0 (20/20 to go)
>   lapw0 -p    (10:18:32) starting parallel lapw0 at Tue Jan  6 10:18:32 MET 2004
--------
running lapw0 in single mode
68.3u 0.7s 1:09 99% 0+0k 58+3io 1pf+0w
running LAPW1 in parallel mode (using .machines)
2 number_of_parallel_jobs
**  LAPW1 crashed!
0.0u 0.5s 0:10 5% 0+0k 13+8io 0pf+0w

>   stop error

if I look at the error file from my machine, I have:

STOP  LAPW0 END
 STOP

lib-4205 : UNRECOVERABLE library error 
  Unable to allocate memory.
IOT Trap

lib-4205 : UNRECOVERABLE library error 
  Unable to allocate memory.
IOT Trap
ksh: 10561217 Abort(coredump)

real	0m7.71s
user	0m5.21s
sys	0m1.74s
ksh: 10164128 Abort(coredump)

real	0m6.96s
user	0m4.63s
sys	0m1.55s

I don't know why I have problems with memory. my machine can allocate up
to 20 Gb (total memory for all processes), with the same limit also for
a single process I think...
Please help me. Thank you.
Giovanni Bertoni
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