[Wien] lapw0_mpi

[Chiung-Yuan Lin]

Dear all,
  I run lapw0_mpi with 63 inequivalent atoms (527 atoms by counting
all equivalent)
using 32 processors with 1GB memory/processor (total 32GB shared
memory). The job stops immediately after submission and gives the
following error message:

ERROR: 0032-184 MPI was not finalized  in routine unknown, task 11
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 8
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 21
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 19
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 10
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 0
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 1
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 2
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 3
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 4
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 5
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 6
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 7
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 9
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 12
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 13
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 14
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 15
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 16
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 17
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 18
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 20
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 22
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 23
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 24
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 25
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 26
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 27
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 28
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 29
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 30
ERROR: 0032-184 MPI was not finalized  in routine unknown, task 31

As a comparison, I run lapw0_mpi for a different system with 21
inequivalent atoms (46 atoms by counting all equivalent). In this case
it runs without problems.

I run jobs on IBM pSeries 690, 1.3GHz Power4 processors, AIX 5.2.
lapw0_mpi was compiled with Scalapack and
O:   -q64 -O5 -qarch=pwr4
L:    -q64 -O5 -L../SRC_lib
R:   -lessl -llapack_lapw
FP: -q64 -O5 -qarch=pwr4

Any idea why the problem happens on the larger case but not the smaller one?

Thanks,
Chiung-Yuan