Dear Halim, it seems that something is wrong with 'lmkl_gf_lp64'. I did a test and compiled with GNU FORTRAN first with correct settings:
(base) [rubel@gra-login1 mstar]$ make veryclean rm -f *.o *.mod *.MOD rm -f *~ (base) [rubel@gra-login1 mstar]$ make gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_pij_vasp.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c mstar.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c eigvs.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_numlines_vasp.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_pij.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c kdelta.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_numlines.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c eigvz.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_nb.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c dgenen.f90 gfortran -L/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/lib/intel64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp -ldl -g -fbacktrace -ffpe-summary=none -o mstar read_mommat_pij_vasp.o mstar.o eigvs.o read_numlines_vasp.o read_mommat_pij.o kdelta.o read_numlines.o eigvz.o read_mommat_nb.o dgenen.o (base) [rubel@gra-login1 mstar]$ gfortran --version GNU Fortran (GCC) 9.3.0 Then I changed 'lmkl_gf_lp64' so something unrecognizable 'lmkl_ggf_lp64'. Here is the result: (base) [rubel@gra-login1 mstar]$ make gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_pij_vasp.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c mstar.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c eigvs.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_numlines_vasp.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_pij.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c kdelta.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_numlines.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c eigvz.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c read_mommat_nb.f90 gfortran -I/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/include -fopenmp -g -fbacktrace -ffpe-summary=none -c dgenen.f90 gfortran -L/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/lib/intel64 -lmkl_ggf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp -ldl -g -fbacktrace -ffpe-summary=none -o mstar read_mommat_pij_vasp.o mstar.o eigvs.o read_numlines_vasp.o read_mommat_pij.o kdelta.o read_numlines.o eigvz.o read_mommat_nb.o dgenen.o /cvmfs/soft.computecanada.ca/gentoo/2020/usr/x86_64-pc-linux-gnu/binutils-bin/2.33.1/ld.gold: error: cannot find -lmkl_ggf_lp64 eigvs.f90:44: error: undefined reference to 'ssyevd_' eigvs.f90:61: error: undefined reference to 'ssyevd_' eigvz.f90:49: error: undefined reference to 'cheevd_' eigvz.f90:67: error: undefined reference to 'cheevd_' collect2: error: ld returned 1 exit status I suspect that you have something else instead of 'lmkl_gf_lp64'. To find out more try to explore the mkl library folder: (base) [rubel@gra-login1 mstar]$ cd /cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/lib/intel64 (base) [rubel@gra-login1 intel64]$ ls libmkl_avx2.so libmkl_blacs_openmpi_lp64.a libmkl_cdft_core.so libmkl_gnu_thread.so libmkl_mc3.so libmkl_sequential.a libmkl_vml_cmpt.so libmkl_avx512_mic.so libmkl_blacs_openmpi_lp64.so libmkl_core.a libmkl_intel_ilp64.a libmkl_mc.so libmkl_sequential.so libmkl_vml_def.so libmkl_avx512.so libmkl_blacs_sgimpt_ilp64.a libmkl_core.so libmkl_intel_ilp64.so libmkl_pgi_thread.a libmkl.so libmkl_vml_mc2.so libmkl_avx.so libmkl_blacs_sgimpt_ilp64.so libmkl_def.so libmkl_intel_lp64.a libmkl_pgi_thread.so libmkl_solver.a libmkl_vml_mc3.so libmkl_blacs_intelmpi_ilp64.a libmkl_blacs_sgimpt_lp64.a libmkl_em64t.a libmkl_intel_lp64.so libmkl_rt.so libmkl_tbb_thread.a libmkl_vml_mc.so libmkl_blacs_intelmpi_ilp64.so libmkl_blacs_sgimpt_lp64.so libmkl_gf_ilp64.a libmkl_intel_thread.a libmkl_scalapack.a libmkl_tbb_thread.so locale libmkl_blacs_intelmpi_lp64.a libmkl_blas95_ilp64.a libmkl_gf_ilp64.so libmkl_intel_thread.so libmkl_scalapack_ilp64.a libmkl_vml_avx2.so libmkl_blacs_intelmpi_lp64.so libmkl_blas95_lp64.a libmkl_gf_lp64.a libmkl_lapack95_ilp64.a libmkl_scalapack_ilp64.so libmkl_vml_avx512_mic.so libmkl_blacs_openmpi_ilp64.a libmkl_cdft.a libmkl_gf_lp64.so libmkl_lapack95_lp64.a libmkl_scalapack_lp64.a libmkl_vml_avx512.so libmkl_blacs_openmpi_ilp64.so libmkl_cdft_core.a libmkl_gnu_thread.a libmkl_lapack.a libmkl_scalapack_lp64.so libmkl_vml_avx.so As you can see, our installation has various compiler flavours labeled as ' libmkl_intel_*', ' libmkl_gf_*', ... Perhaps your installation is different? I hope it will help Oleg _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
