Parallel CP2K installation using MKL

Andreas Glöss andreas... at
Tue Mar 29 11:21:10 UTC 2016

Hi Kwon,

The output doesn't look good to me. There shouldn't be any MPI related 
error in the output. This indicates, that you are linking with wrong MKL 
line (Intel MPI) while using MPI from a different (OpenMPI) path, see your 
ldd output: '/opt/mpi/intel-14.0/openmpi-1.8.1/lib/...'.

Please correct the LIB-line, clean-up ('make distclean'), recompile and 
test again, before creating any non-working module.

LIBS     = $(INTEL_MKL_LIB)/libmkl_scalapack_lp64.a \
           -Wl,--start-group \
             $(INTEL_MKL_LIB)/libmkl_intel_lp64.a \
             $(INTEL_MKL_LIB)/libmkl_core.a \
             $(INTEL_MKL_LIB)/libmkl_sequential.a \
             $(INTEL_MKL_LIB)/libmkl_blacs_openmpi_lp64.a \
           -Wl,--end-group \
           -lpthread -lm

Best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list