[Wien] Problems with LAPW1 running in PARALLEL

[ronunez@gauss.mat.uson.mx]

I have the next problem using WIEN2k 8.3 with MPI...

I have compiled the wien2k 8.3 in a Cray XD1 (Opteron cpus),
with pgf90 compiler (v 6.23), ACML libs, GOTO libs 1.26, and MPICH 1.26,
without errors...

I run the mpi-benchmark without problems, using 8 cpus and 1 thread in the
GOTO libs, because with 2 thread the GOTO libs freeze sometimes...

Next, I try to run an SCF cycle of In2O3, using 61
k point in IBZ and 8 cpus. The mpi version of lapw0 run without
problems, but the mpi lapw1 begin without problems but past some time
crash!!!!

I found the next message in In2O3.dayfile:

**  LAPW1 crashed!
0.288u 0.596s 2:56.59 0.4%      0+0k 0+0io 3pf+0w
error: command   /mnt/san/home/uson/r_ng732/WIEN2k/lapw1para lapw1.def   failed

and with the option -xf in lapw1para I have in stdout:

[5] Fatal Error: message truncated. ask 13312 got 21632 at line 454 in file
/usr/src/packages/BUILD/mpich-1.2.6-51-pgi623/mpid/rai/raifma.c
Process 0 lost connection: exiting
Process 1 lost connection: exiting
Process 2 lost connection: exiting
Process 3 lost connection: exiting
Process 4 lost connection: exiting
Process 6 lost connection: exiting
Process 7 lost connection: exiting

If I run the same case but with 1 k point in IBZ, the SCF cycle
end without problems... Therefore the problem happens when are
used more of 1 k point in IBZ.

Thanks in advance for your help and comments...

Roberto Nuñez-Gonzalez
Departamento de Matematicas
Universidad de Sonora
Mexico