status of hybrid OpenMP+MPI version

[Axel]

hi everybody,

i would very much appreciate it if somebody could comment 
on the status of the hybrid OpenMP+MPI version of cp2k.

i am compiling cp2k on RHEL 6.0 using either gfortran 4.4.4
as shipped with RHEL or intel fortran 11.1.072.

the 2.1 branch only compiles with gfortran. intel fortran abends
in the function make_threads in the file src/lib/dbscr_methods.F
claiming that FORALL is not compatible with !$OMP SINGLE
gfortran does not complain, but the resulting compile leads to
bogus results when used with more than one thread.

on the development branch, both gfortran and intel finish the 
compile successfully. however, only the serial version compiled
with gfortran seems to be working correctly (perhaps by accident?)
which the parallel variant either hangs or dies in some mpi call.

before i start digging deeper into this, e.g. to see which individual
regtests fail and whether code or compiler have to be blamed, 
can somebody here clue me in under which circumstances
(arch, code version, compiler/OS versions) the OpenMP variant
and - more importantly - the hybrid MPI+OpenMP compile 
is supposed to work.

thanks in advance,
     axel.


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