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

Axel akoh... at
Wed Oct 22 16:14:00 UTC 2008


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
on the heap and link with MKL in a way that it does no unwanted multi-

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


On Oct 22, 3:12 am, Roberto Scipioni <robertino... at>
> 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
> CPPFLAGS = -traditional -C $(DFLAGS) -P
> FCFLAGS  = $(DFLAGS) -O3 -Vaxlib
> LDFLAGS  = $(FCFLAGS) -L/opt/intel/mkl/
> LIBS=/opt/intel/mkl/ /opt/intel/mkl/ /opt/intel/mkl/ /opt/FFTW/fftw-3.1.3/.libs/libfftw3.a -lguide -lpthread
> OBJECTS_ARCHITECTURE = machine_intel.o

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