[Wien] Problems with lapw1_mpi in 64-bit

[Roberto Iglesias]

Hello all!

We're experiencing problems when trying to run our Wien2k installation 
on a cluster of dual core AMD Opteron processors, with 64-bit PGI 6.1 
compilers, MPICH-1.2.6, Scientific Linux 4 (Red Hat 4) and AMD 
libraries. The version of the program is Wien2k_06.2.

The build was practically clean:

Compile time errors (if any) were:
SRC_balsac-utils/compile.msg:make: [clean] Error 1 (ignored)
SRC_elast/compile.msg:make: [clean] Error 1 (ignored)
SRC_eosfit/compile.msg:make: [clean] Error 1 (ignored)
SRC_fsgen/compile.msg:make: [clean] Error 1 (ignored)
SRC_optimize/compile.msg:make: [clean] Error 1 (ignored)
SRC_phonon/compile.msg:make: [clean] Error 1 (ignored)
SRC_trig/compile.msg:make: [clean] Error 1 (ignored)

We could build and run a test F90 MPICH code in the same environment.

But when running a test, it crashes in lapw1_mpi in the following 
sequence of calls:

   run_lapw -p -cc 0.0001
   ...
   /home3/iglesias/w2k_par/x -f TiC lapw1 -p
   ...
   /home3/iglesias/w2k_par/lapw1para lapw1.def
   ...
   mpirun -np 4 -machinefile .machine1 /home3/iglesias/w2k_par/lapw1_mpi 
lapw1_1.def

  Using             4  processors, My ID =             0
2 - <NO ERROR MESSAGE> : Could not convert index 1140850688 into a pointer
The index may be an incorrect argument.
Possible sources of this problem are a missing "include 'mpif.h'",
a misspelled MPI object (e.g., MPI_COM_WORLD instead of MPI_COMM_WORLD)
or a misspelled user variable for an MPI object (e.g.,
com instead of comm).
p0_10792:  p4_error: interrupt SIGx: 13
Killed by signal 2.

I have not been able to find any solution to this in the mailing list, 
neither in the FAQ. There were messages about compilation errors with a 
64-bit build, but has someone ever suffered similar problems with lapw1_mpi?

Thanks a lot

Roberto Iglesias