Parallel installation of SIESTA

[magdian]

Hi

I'm trying to install parallel SIESTA in a Intel Xeon with openmpi-1.2.7 and mkl 10.0.2.018, and I'm still have problems with mkl libraries, I get the following errors

/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_thread.a(zunmqr_omp.o): In function `L_mkl_lapack_zunmqr_314__par_region0':

/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_scalapack_ilp64.a(pbdvecadd.o): In function `pbdvecadd_':

I wonder if somebody can tell me what's wrong with my arch.make


SIESTA_ARCH=intel9-mkl8
#
FC=mpif90
#
FFLAGS= -w -O2 -mp
FFLAGS_DEBUG= -g
LDFLAGS=
COMP_LIBS=
RANLIB=echo
#
NETCDF_LIBS=
NETCDF_INTERFACE=
DEFS_CDF=
#
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/packages/intel-openmpi-1.2.7/include
DEFS_MPI=-DMPI
#
COMP=-L/packages/intel/mkl/10.0.2.018/lib/em64t
LAPACK=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_lapack.a
BLAS=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_em64t.a
BLACS=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_blacs_openmpi_ilp64.a
SCALAPACK=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_scalapack_ilp64.a
THREAD=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_thread.a
VML=/packages/intel/mkl/10.0.2.018/em64t/libmkl_vml_p4n.so
LIBS=$(LAPACK) $(COMP) $(BLAS) $(BLACS) $(THREAD) $(VML)
SYS=nag
DEFS= $(DEFS_CDF) $(DEFS_MPI)
#
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $<
#

Thanks

[Chao_Y_Intel]

Hi,

MKL Changed to new layered model since verion 10.x. For BLAS, LAPACK, VML, users need to link with the same layer libraries.
Check this article for some more information:
http://software.intel.com/en-us/articles/performance-tools-for-software-developers-for-easily-migrating-from-mkl-9x-to-10x/


The following tools also can help to find the libary you need to link:
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/


please see if the following change works:



COMP=-L/packages/intel/mkl/10.0.2.018/lib/em64t
LAPACK=Wl,--start-group /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_lp64.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_thread.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_core.a Wl,--end-group
BLAS= Wl,--start-group /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_lp64.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_thread.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_core.a Wl,--end-group
VML=Wl,--start-group /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_lp64.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_intel_thread.a /packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_core.a Wl,--end-group
BLACS=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_blacs_openmpi_lp64.a
SCALAPACK=/packages/intel/mkl/10.0.2.018/lib/em64t/libmkl_scalapack_lp64.a
THREAD=/packages/intel/mkl/10.0.2.018/lib/em64t/libiomp5md.so -lpthread

LIBS=$(LAPACK) $(COMP) $(BLAS) $(BLACS) $(THREAD)


Thanks,
Chao