Proper linking of MKL library

[Miro]

Hello,

I have

  export BLASOPT="-L${MKLROOT}/lib/intel64_lin -lbmkl_blas95_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
  #export LAPACK_LIB="${MKLROOT}/lib/intel64_lin/libmkl_lapack95_ilp64.a -L${MKLROOT}/lib/intel64_lin -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
  export LAPACK_LIB="-L${MKLROOT}/lib/intel64_lin -lmkl_lapack95_ilp64 -lbmkl_blas95_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
  export BLAS_SIZE=8
  export LAPACK_SIZE=8
  export USE_MPI=y
  export LARGE_FILES=1
  export USE_NOFSCHECK=1

 

and

Currently Loaded Modulefiles:
  1) /compiler/intel/17.4           2) /ucx/intel/1.5_intel17.4       3) /openmpi/intel/4.0_intel17.4

but final linkink show missing objects:

/lustre/ukt/milias/work/software/nwchem/nwchem_master_openmpi-intel17mkl/lib/LINUX64/libtce.a(ccd_t2.o): In function `ccd_t2_3_':
ccd_t2.F:(.text+0x4fda): undefined reference to `ygemm_'
/lustre/ukt/milias/work/software/nwchem/nwchem_master_openmpi-intel17mkl/lib/LINUX64/libtce.a(ccd_t2.o):ccd_t2.F:(.text+0x6ab1): more undefined references to `ygemm_' follow
/lustre/ukt/milias/work/software/nwchem/nwchem_master_openmpi-intel17mkl/lib/LINUX64/libtce.a(cis_xdiagon.o): In function `cis_xdiagon_':
cis_xdiagon.F:(.text+0x889): undefined reference to `yaxpy_'
/lustre/ukt/milias/work/software/nwchem/nwchem_master_openmpi-intel17mkl/lib/LINUX64/libtce.a(tce_dgeev.o): In function `tce_dgeev_.V':
tce_dgeev.F:(.text+0x5d8): undefined reference to `ylange_'
tce_dgeev.F:(.text+0x677): undefined reference to `ylascl_'
tce_dgeev.F:(.text+0x6c4): undefined reference to `ygebal_'

Any help, please ? In which MKL library we have these missing  'y...' routines ?

Best, Miro

 

[Edoardo Aprà]

Miro,

Since you have performed the command

make 64_to_32

you need to set the env. variable USE_64TO32

Edo

PS Since you are using BLAS_SIZE=8, this 64_to_32 step is not strictly necessary.

[Miro]

Thanks ! This works, so the MKL linking issue is solved.

Miro