topic Re: Parallel installation of SIESTA in Intel® oneAPI Math Kernel Library

Parallel installation of SIESTA

magdian — Mon, 17 Aug 2009 05:36:15 GMT

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

Re: Parallel installation of SIESTA

Chao_Y_Intel — Mon, 17 Aug 2009 13:43:40 GMT

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