Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL)

[Axel]

roberto,

there are a bunch of possible reasons for getting segmentation faults
with intel compilers. i already sent you my arch files that work well
with recent intel 10 compilers and reduce the optimization level where
the compiler has a tendency to miscompile cp2k, do larger local
allocations
on the heap and link with MKL in a way that it does no unwanted multi-
threading.

this all has been discussed in this forum repeatedly (try searching
the
google group for "intel fortran" or "ifort"...

cheers,
    axel.

On Oct 22, 3:12 am, Roberto Scipioni <robertino... at yahoo.it>
wrote:
> Hi all,
>
> Now I have been trying to make the parallel version work
> I used the arch file (I used ifort 10.0 and mkl 10)
>
> CC       = icc
> CPP      = cpp
> FC       = /opt/ompi_ifort10/bin/mpif90 -FR
> FC_fixed = /opt/ompi_ifort10/bin/mpif90 -FI
> LD       = /opt/ompi_ifort10/bin/mpif90 -i_dynamic -openmp
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3
> CPPFLAGS = -traditional -C $(DFLAGS) -P
> FCFLAGS  = $(DFLAGS) -O3 -Vaxlib
> LDFLAGS  = $(FCFLAGS) -L/opt/intel/mkl/10.0.1.014/lib/em64t/
> LIBS=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_scalapack.a /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_blacs_openmpi_ilp64.a /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a /opt/FFTW/fftw-3.1.3/.libs/libfftw3.a -lguide -lpthread
>
> OBJECTS_ARCHITECTURE = machine_intel.o