In this situation, Wannier90 uses the following MKL-specific settings:
$ cat make.inc
#=====================================================
# For Linux with intel version 11/12 on 64bit machines
#=====================================================
F90 = ifort
COMMS=mpi
MPIF90=mpiifort
FCOPTS=-O2
LDOPTS=-O2
#========================================================
# Intel mkl libraries. Set LIBPATH if not in default path
#========================================================
LIBDIR = ${MKLROOT}/lib/intel64
LIBS = -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread
#=======================
# ATLAS Blas and LAPACK
#=======================
#LIBDIR = /usr/local/lib
#LIBS = -L$(LIBDIR) -llapack -lf77blas -lcblas -latlas
Yes. vasp compiles smoothly with the above configuration, and I noticed the following information in the final stage of vasp compilation:
make DEPS=1 -j 44 all
[...]
mpiifort -qmkl=parallel -o vasp c2f_interface.o nccl2for.o simd.o base.o profiling.o string.o tutor.o version.o command_line.o vhdf5_base.o incar_reader.o reader_base.o openmp.o openacc_struct.o mpi.o mpi_shmem.o mathtools.o hamil_struct.o radial_struct.o pseudo_struct.o mgrid_struct.o wave_struct.o nl_struct.o mkpoints_struct.o poscar_struct.o afqmc_struct.o fock_glb.o chi_glb.o smart_allocate.o xml.o extpot_glb.o constant.o ml_ff_c2f_interface.o ml_ff_prec.o ml_ff_constant.o ml_ff_taglist.o ml_ff_struct.o ml_ff_mpi_help.o ml_ff_mpi_shmem.o vdwforcefield_glb.o jacobi.o main_mpi.o openacc.o scala.o asa.o lattice.o poscar.o ini.o mgrid.o ml_ff_error.o ml_ff_mpi.o ml_ff_helper.o ml_ff_logfile.o ml_ff_math.o ml_ff_iohandle.o ml_ff_memory.o ml_ff_abinitio.o ml_ff_ff.o ml_ff_mlff.o setex_struct.o xclib.o vdw_nl.o xclib_grad.o setex.o radial.o pseudo.o gridq.o ebs.o symlib.o mkpoints.o random.o wave.o wave_mpi.o wave_high.o bext.o spinsym.o symmetry.o lattlib.o nonl.o nonlr.o nonl_high.o dfast.o choleski2.o mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o diis.o rhfatm.o hyperfine.o fock_ace.o paw.o mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o solvation.o scpc.o pot.o tet.o dos.o elf.o hamil_rot.o chain.o dyna.o fileio.o vhdf5.o sphpro.o us.o core_rel.o aedens.o wavpre.o wavpre_noio.o broyden.o dynbr.o reader.o writer.o xml_writer.o brent.o stufak.o opergrid.o stepver.o chgloc.o fast_aug.o fock_multipole.o fock.o fock_dbl.o fock_frc.o mkpoints_change.o subrot_cluster.o sym_grad.o mymath.o npt_dynamics.o subdftd3.o subdftd4.o internals.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o nmr.o pead.o k-proj.o subrot.o subrot_scf.o paircorrection.o rpa_force.o ml_interface.o force.o pwlhf.o gw_model.o optreal.o steep.o rmm-diis.o davidson.o david_inner.o root_find.o lcao_bare.o locproj.o electron_common.o electron.o rot.o electron_all.o shm.o pardens.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o subrot_lr.o lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o linear_optics.o setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o gauss_quad.o m_unirnk.o minimax_ini.o minimax_dependence.o minimax_functions1D.o minimax_functions2D.o minimax_struct.o minimax_varpro.o minimax.o umco.o mlwf.o ratpol.o pade_fit.o screened_2e.o wave_cacher.o crpa.o chi_base.o wpot.o local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o bse_te.o bse.o time_propagation.o acfdt.o afqmc.o rpax.o chi.o acfdt_GG.o dmft.o GG_base.o greens_orbital.o lt_mp2.o rnd_orb_mp2.o greens_real_space.o chi_GG.o chi_super.o sydmat.o rmm-diis_mlr.o linear_response_NMR.o wannier_interpol.o wave_interpolate.o linear_response.o auger.o dmatrix.o phonon.o wannier_mats.o elphon.o core_con_mat.o embed.o extpot.o rpa_high.o fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o main.o -Llib -ldmy -Lparser -lparser -lstdc++ -L/opt/intel/oneapi/mkl/2022.0.2/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl -L/home/werner/Public/repo/github.com/wannier-developers/wannier90/develop/lib -lwannier
make[2]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/ncl'
make[1]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/ncl'
make[2]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/std'
make[1]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/std'
make[2]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/gam'
make[1]: Leaving directory '/home/werner/Public/hpc/vasp/vasp.6.3.0/build/gam'
If I understand correctly, the static library libwannier.a will be linked as is into vasp, and the MKL settings of vasp will only affect the stuff in vasp itself. This will also be the behavior of the MKL subroutine, which will be used for subsequent calls of these third-party libraries from within vasp. To summarize: In terms of the MKL feature invoked, merging a static library into another program with different MKL link settings does not interfere with each other.
Regards,
HZ