Parallel CP2K installation using MKL
Andreas Glöss
andreas... at gmail.com
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,
Andreas
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