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MacOS installation error, OpenMX-3.9 Date: 2022/03/07 21:33 Name: Thomas Auckland Dear all, I am having difficulties in installing OpenMX on a macOS macbook air. I have downloaded using homebrew: 1) lapack 3.10.0 2) fftw 3.3.10 3) openmpi 4.1.2 4) openblas 0.3.20 I have also unpackaged the patch file patch3.9.9.tar.gz in the source file as well. In the makefile I have added: FFTROOT = /usr/local/Cellar/fftw/3.3.10 LBSROOT = /usr/local/Cellar/lapack/3.10.0 openmp_flag = -fopenmp fortran_lib = -lgfortran CC = mpicc -openmpi -O3 -ffast-math -Xclang $(openmp_flag) -I/$(FFTROOT)/include -I/$(LBSROOT)/include FC = mpif90 -openmpi -O3 -ffast-math -Xclang $(openmp_flag) -I/$(LBSROOT)/include LIB= -L/usr/local/lib -lfftw3 -L/$(FFTROOT)/lib -lfftw3_omp -L//usr/local/Cellar/open-mpi/4.1.2/lib -lmpi -lmpi_mpifh -L/$(LBSROOT)/lib -llapack -lblas $(fortran_lib) and when I run make all in the source file I get: mpicc -openmpi -O3 -ffast-math -Xclang -fopenmp -I//usr/local/Cellar/fftw/3.3.10/include -I//usr/local/Cellar/lapack/3.10.0/include -I./elpa-2018.05.001 -c DFT.c DFT.c:2523:15: error: implicit declaration of function 'numroc_' is invalid in C99 [-Werror,-Wimplicit-function-declaration] na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows); ^ DFT.c:2526:16: error: implicit declaration of function 'Csys2blacs_handle' is invalid in C99 [-Werror,-Wimplicit-function-declaration] bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]); ^ DFT.c:2528:5: error: implicit declaration of function 'Cblacs_gridinit' is invalid in C99 [-Werror,-Wimplicit-function-declaration] Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols); ^ DFT.c:2537:5: error: implicit declaration of function 'descinit_' is invalid in C99 [-Werror,-Wimplicit-function-declaration] descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info); ^ DFT.c:2695:5: error: implicit declaration of function 'Cfree_blacs_system_handle' is invalid in C99 [-Werror,-Wimplicit-function-declaration] Cfree_blacs_system_handle(bhandle2); ... fatal error: too many errors emitted, stopping now [-ferror-limit=] 20 errors generated. make: *** [DFT.o] Error 1 I believe this must be something to do with the library linking or the fact that I've used homebrew to download the other programmes. Any help would be very much appreciated, Cheers, Thomas

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Re: MacOS installation error, OpenMX-3.9 ( No.1 ) Date: 2022/03/07 21:59 Name: Naoya Yamaguchi Hi, Recently, I've installed the OpenMX on an M1 Mac, and I leave examples of `CC`, `FC` and `LIB` for the `makefile` below. 1. with Rosetta and MacPorts (GCC+MPICH+MKL) MKLROOT=/opt/intel/oneapi/mkl/2021.3.0 CC = mpicc-mpich-gcc9 -Ofast -march=native -ffast-math -fopenmp -I$(MKLROOT)/include/fftw -I/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/usr/include FC = mpif90-mpich-gcc9 -Ofast -march=native -ffast-math -fopenmp LIB= -L${MKLROOT}/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_mpich_lp64 -L/opt/intel/oneapi/compiler/2021.3.0/mac/compiler/lib -liomp5 -lpthread -lm -ldl -L/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/usr/lib -lgfortran -lmpi -lmpifort 2. native with Homebrew (Clang+GFortran+OpenMPI+ScaLAPACK+FFTW) CC = mpicc -O3 -Xpreprocessor -fopenmp -I/opt/homebrew/Cellar/libomp/13.0.0/include -Wno-error=implicit-function-declaration -Dnosse -I/opt/homebrew/Cellar/fftw/3.3.10/include FC = mpif90 -O3 -ffast-math -march=native -fopenmp -Dnosse -fallow-argument-mismatch LIB= -L/opt/homebrew/Cellar/scalapack/2.1.0_3/lib -lscalapack -llapack -lblas -L/opt/homebrew/Cellar/fftw/3.3.10/lib -lfftw3 -lmpi_mpifh -L/opt/homebrew/Cellar/llvm/13.0.0_1/lib -lomp -lpthread -L/opt/homebrew/Cellar/gcc/11.2.0_3/lib/gcc/11 -lgfortran You can compare yours with example 2. Regards, Naoya Yamaguchi Re: MacOS installation error, OpenMX-3.9 ( No.2 ) Date: 2022/03/09 19:26 Name: Thomas Auckland Hi, thanks for the quick reply. It seems to have compiled all of the files but seems to have become stuck with the openmx file itself. Thomas@Thomass-MacBook-Air source % make openmx mpicc -O3 -Xpreprocessor -fopenmp -I/usr/local/Cellar/libomp/13.0.1/include -Wno-error=implicit-function-declaration -Dnosse -I/usr/local/Cellar/fftw/3.3.10/include -I./elpa-2018.05.001 openmx.o openmx_common.o Input_std.o Inputtools.o init.o LU_inverse.o ReLU_inverse.o truncation.o readfile.o FT_PAO.o FT_NLP.o FT_ProExpn_VNA.o FT_VNA.o FT_ProductPAO.o Hamiltonian_Cluster.o Hamiltonian_Cluster_Hs.o Hamiltonian_Cluster_NC_Hs2.o Hamiltonian_Band_NC_Hs2.o Overlap_Cluster_NC_Ss2.o Overlap_Band_NC_Ss2.o Overlap_Cluster.o Overlap_Cluster_Ss.o Set_ContMat_Cluster_LNO.o Hamiltonian_Band.o Matrix_Band_LNO.o Overlap_Band.o Hamiltonian_Cluster_NC.o Hamiltonian_Band_NC.o Hamiltonian_Cluster_SO.o Get_OneD_HS_Col.o SetPara_DFT.o XC_Ceperly_Alder.o XC_CA_LSDA.o XC_PW92C.o XC_PBE.o XC_EX.o DFT.o Mixing_DM.o Mixing_H.o Mixing_V.o Force.o Stress.o Poisson.o Poisson_ESM.o Cluster_DFT_Col.o Cluster_DFT_NonCol.o Cluster_DFT_Dosout.o Cluster_DFT_ON2.o Cluster_DFT_LNO.o Band_DFT_Col.o Band_DFT_NonCol.o Band_DFT_NonCol_GB.o Band_DFT_kpath.o Band_DFT_kpath_LNO.o Band_DFT_MO.o Unfolding_Bands.o Band_DFT_Dosout.o Set_Density_Grid.o Set_Orbitals_Grid.o Set_Aden_Grid.o Gauss_Legendre.o zero_cfrac.o xyz2spherical.o AngularF.o RadialF.o Dr_RadialF.o PhiF.o VNAF.o Dr_VNAF.o VH_AtomF.o Dr_VH_AtomF.o RF_BesselF.o QuickSort.o Nonlocal_RadialF.o KumoF.o Dr_KumoF.o Mulliken_Charge.o Occupation_Number_LDA_U.o Eff_Hub_Pot.o Coulomb_Interaction.o EulerAngle_Spin.o Smoothing_Func.o Orbital_Moment.o Pot_NeutralAtom.o Simple_Mixing_DM.o DIIS_Mixing_DM.o ADIIS_Mixing_DM.o GR_Pulay_DM.o Kerker_Mixing_Rhok.o DIIS_Mixing_Rhok.o Total_Energy.o Contract_Hamiltonian.o Contract_iHNL.o Cont_Matrix0.o Cont_Matrix1.o Cont_Matrix2.o Cont_Matrix3.o Cont_Matrix4.o Opt_Contraction.o Initial_CntCoes.o Initial_CntCoes2.o Set_XC_Grid.o Set_XC_NL1_Grid.o Get_Orbitals.o Get_dOrbitals.o Get_Cnt_Orbitals.o Get_Cnt_dOrbitals.o Gaunt.o Find_CGrids.o MD_pac.o RestartFileDFT.o Output_CompTime.o Merge_LogFile.o Make_FracCoord.o Make_InputFile_with_FinalCoord.o Output_Energy_Decomposition.o Divide_Conquer.o Divide_Conquer_LNO.o Krylov.o Divide_Conquer_Dosout.o EGAC_DFT.o LNO.o Eigen_lapack.o Eigen_lapack2.o Eigen_lapack3.o EigenBand_lapack.o Eigen_PReHH.o BroadCast_ReMatrix.o Eigen_PHH.o BroadCast_ComplexMatrix.o lapack_dstedc1.o lapack_dstedc2.o lapack_dstedc3.o lapack_dstegr1.o lapack_dstegr2.o lapack_dstegr3.o lapack_dstevx1.o lapack_dstevx2.o lapack_dstevx3.o lapack_dstevx4.o lapack_dstevx5.o lapack_dsteqr1.o Nonlocal_Basis.o Set_OLP_Kin.o Set_Nonlocal.o Set_ProExpn_VNA.o Set_CoreHoleMatrix.o Set_OLP_p.o Set_Hamiltonian.o Set_Vpot.o Voronoi_Charge.o Voronoi_Orbital_Moment.o Fuzzy_Weight.o dampingF.o deri_dampingF.o Spherical_Bessel.o iterout.o iterout_md.o Allocate_Arrays.o Free_Arrays.o Init_List_YOUSO.o outputfile1.o malloc_multidimarray.o PrintMemory.o PrintMemory_Fix.o dtime.o OutData.o OutData_Binary.o init_alloc_first.o File_CntCoes.o SCF2File.o mimic_sse.o Make_Comm_Worlds.o Set_Allocate_Atom2CPU.o Cutoff.o Generating_MP_Special_Kpt.o Maketest.o Runtest.o Memory_Leak_test.o Force_test.o Stress_test.o Show_DFT_DATA.o Generate_Wannier.o TRAN_Allocate.o TRAN_DFT.o TRAN_DFT_Dosout.o TRAN_Apply_Bias2e.o TRAN_Deallocate_Electrode_Grid.o TRAN_Deallocate_RestartFile.o TRAN_RestartFile.o TRAN_Calc_CentGreen.o TRAN_Input_std.o TRAN_Set_CentOverlap.o TRAN_Calc_CentGreenLesser.o TRAN_Input_std_Atoms.o TRAN_Set_Electrode_Grid.o TRAN_Calc_GridBound.o TRAN_Set_IntegPath.o TRAN_Output_HKS.o TRAN_Set_MP.o TRAN_Calc_SelfEnergy.o TRAN_Output_Trans_HS.o TRAN_Calc_Hopping_G.o TRAN_Calc_SurfGreen.o TRAN_Set_SurfOverlap.o TRAN_Add_Density_Lead.o TRAN_Add_ADensity_Lead.o TRAN_Set_Value.o TRAN_Poisson.o TRAN_adjust_Ngrid.o TRAN_Print.o TRAN_Print_Grid.o Lapack_LU_inverse.o TRAN_Distribute_Node.o TRAN_Output_HKS_Write_Grid.o TRAN_Credit.o TRAN_Check_Region_Lead.o TRAN_Check_Region.o TRAN_Check_Input.o DFTDvdW_init.o DFTD3vdW_init.o neb.o neb_run.o neb_check.o TRAN_Allocate_NC.o TRAN_DFT_NC.o TRAN_Set_CentOverlap_NC.o TRAN_Set_SurfOverlap_NC.o TRAN_Calc_OneTransmission.o TRAN_Main_Analysis.o TRAN_Main_Analysis_NC.o MTRAN_EigenChannel.o TRAN_Channel_Functions.o TRAN_Channel_Output.o TRAN_Calc_CurrentDensity.o TRAN_CDen_Main.o elpa1.o solve_evp_real.o solve_evp_complex.o NBO_Cluster.o NBO_Krylov.o Population_Analysis_Wannier.o Population_Analysis_Wannier2.o NabraMatrixElements.o Set_dOrbitals_Grid.o Calc_optical.o Band_DFT_NonCol_Optical.o Cluster_DFT_Optical.o Band_DFT_Col_Optical_ScaLAPACK.o Cluster_DFT_Optical_ScaLAPACK.o mod_precision.o elpa_utilities.o elpa1_compute_real.o elpa1_compute_complex.o aligned_mem.o elpa2_determine_workload.o mod_redist_band_real.o mod_redist_band_complex.o mod_pack_unpack_cpu_real.o mod_pack_unpack_cpu_complex.o real.o complex.o mod_single_hh_trafo_real.o mod_compute_hh_trafo_real.o mod_compute_hh_trafo_complex.o elpa2_compute_real.o elpa2_compute_complex.o elpa_solve_evp_real_2stage_double_impl.o elpa_solve_evp_complex_2stage_double_impl.o -L/usr/local/Cellar/scalapack/2.1.0_3/lib -lscalapack -llapack -lblas -L/usr/local/Cellar/fftw/3.3.10/lib -lfftw3 -lmpi_mpifh -L/usr/local/Cellar/llvm/13.0.1_1/lib -lomp -lpthread -L/usr/local/Cellar/gcc/11.2.0_3/lib/gcc/11 -L/usr/local/bin -lgfortran -lm -o openmx ld: warning: object file (elpa1.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for _resort_ev.4: does not use RBP or RSP based frame ld: warning: could not create compact unwind for _global_gather.2: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_merge_systems: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_solve_tridi: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_trans_ev_complex: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_trans_ev_real: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_cholesky_complex: does not use RBP or RSP based frame ld: warning: could not create compact unwind for _elpa_reduce_add_vectors_: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_tridiag_complex: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_MOD_tridiag_real: does not use RBP or RSP based frame ld: warning: object file (solve_evp_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (solve_evp_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for _solve_evp_complex_: does not use RBP or RSP based frame ld: warning: object file (mod_precision.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (elpa_utilities.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (elpa1_compute_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_solve_tridi_single_problem_double_impl: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_merge_systems_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for _resort_ev_double.4: does not use RBP or RSP based frame ld: warning: could not create compact unwind for _global_gather_double.2: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_merge_systems_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_solve_tridi_single_problem_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_elpa_reduce_add_vectors_real_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_solve_tridi_double_impl: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa1_compute_real_MOD_solve_tridi_double: does not use RBP or RSP based frame ld: warning: object file (elpa1_compute_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___elpa1_compute_complex_MOD_elpa_reduce_add_vectors_complex_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: object file (aligned_mem.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (elpa2_determine_workload.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (mod_redist_band_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___redist_real_MOD_redist_band_real_double: does not use RBP or RSP based frame ld: warning: object file (mod_redist_band_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___redist_complex_MOD_redist_band_complex_double: does not use RBP or RSP based frame ld: warning: object file (mod_pack_unpack_cpu_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (mod_pack_unpack_cpu_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (mod_single_hh_trafo_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (mod_compute_hh_trafo_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (mod_compute_hh_trafo_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (elpa2_compute_complex.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_trans_ev_tridi_to_band_complex_double._omp_fn.5: register 3 saved somewhere other than in frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_trans_ev_tridi_to_band_complex_double._omp_fn.8: register 3 saved somewhere other than in frame ld: warning: object file (elpa2_compute_real.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_wy_gen_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_trans_ev_tridi_to_band_real_double._omp_fn.5: register 3 saved somewhere other than in frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_trans_ev_tridi_to_band_real_double._omp_fn.8: register 3 saved somewhere other than in frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_tridiag_band_real_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_bandred_real_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_band_band_real_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_trans_ev_tridi_to_band_real_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_tridiag_band_real_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_real_MOD_bandred_real_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_tridiag_band_complex_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_herm_matrix_allreduce_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_bandred_complex_double._omp_fn.0: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_trans_ev_tridi_to_band_complex_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_tridiag_band_complex_double: does not use RBP or RSP based frame ld: warning: could not create compact unwind for ___elpa2_compute_complex_MOD_bandred_complex_double: does not use RBP or RSP based frame ld: warning: object file (elpa_solve_evp_real_2stage_double_impl.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: object file (elpa_solve_evp_complex_2stage_double_impl.o) was built for newer macOS version (12.2) than being linked (12.0) ld: warning: could not create compact unwind for _elpa_solve_evp_complex_2stage_double_impl_: does not use RBP or RSP based frame Undefined symbols for architecture x86_64: "_Spherical_Bessel2", referenced from: _.omp_outlined..6 in Set_ProExpn_VNA.o _.omp_outlined..15 in Set_ProExpn_VNA.o _.omp_outlined..16 in Set_ProExpn_VNA.o ld: symbol(s) not found for architecture x86_64 clang: error: linker command failed with exit code 1 (use -v to see invocation) make: *** [openmx] Error 1 I also tried to do this on an M1 mac and it resulted in a similar error. Undefined symbols for architecture arm64: "_Spherical_Bessel2", referenced from: _.omp_outlined..6 in Set_ProExpn_VNA.o _.omp_outlined..15 in Set_ProExpn_VNA.o _.omp_outlined..16 in Set_ProExpn_VNA.o ld: symbol(s) not found for architecture arm64 clang: error: linker command failed with exit code 1 (use -v to see invocation) make: *** [openmx] Error 1 Any help would be appreciated cheers, Thomas Re: MacOS installation error, OpenMX-3.9 ( No.3 ) Date: 2022/03/11 04:31 Name: Naoya Yamaguchi Dear Thomas, I forgot to provide a modified source code for the Clang. Please replace the `Set_ProExpn_VNA.c` with one downloaded from https://gist.github.com/Ncmexp2717/aaffd91eb1bc15e1909b057cc2e83c1f . Regards, Naoya Yamaguchi Re: MacOS installation error, OpenMX-3.9 ( No.4 ) Date: 2022/03/15 00:03 Name: Thomas Auckland  <thomas.auckland@new.ox.ac.uk> It works! Thanks for all of the help Naoya Yamaguchi it has been very much appreciated. cheers, Thomas Auckland Re: MacOS installation error, OpenMX-3.9 ( No.5 ) Date: 2022/04/19 19:19 Name: Takeru Nakashima >>1 Dear Yamaguchi-san Hello, I'm trying to compile openmx(3.9)+patch(3.9.9) in m1 mac too, following to your comments, Yamaguchi-san. (using homebrew) ---------------------------- >>> 2. native with Homebrew (Clang+GFortran+OpenMPI+ScaLAPACK+FFTW) CC = mpicc -O3 -Xpreprocessor -fopenmp -I/opt/homebrew/Cellar/libomp/13.0.0/include -Wno-error=implicit-function-declaration -Dnosse -I/opt/homebrew/Cellar/fftw/3.3.10/include FC = mpif90 -O3 -ffast-math -march=native -fopenmp -Dnosse -fallow-argument-mismatch LIB= -L/opt/homebrew/Cellar/scalapack/2.1.0_3/lib -lscalapack -llapack -lblas -L/opt/homebrew/Cellar/fftw/3.3.10/lib -lfftw3 -lmpi_mpifh -L/opt/homebrew/Cellar/llvm/13.0.0_1/lib -lomp -lpthread -L/opt/homebrew/Cellar/gcc/11.2.0_3/lib/gcc/11 -lgfortran ---------------------------- <<< and get the similar error as comment 2, >>2 so I replaced "Set_ProExpn_VNA.c" uploaded in comment No3. >>3 But, the duplicate symbol errors appeared as follows Can I ask you how to solve this problems? ------------------------------------------------------------- >>> ... duplicate symbol '_GridZ_EH0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_GridY_EH0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_GridX_EH0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_Max_TGN_EH0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_TGN_EH0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_Slater_F0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o duplicate symbol '_NPT_WV_F0' in: openmx.o Cluster_DFT_Optical_ScaLAPACK.o ld: 214343 duplicate symbols for architecture arm64 clang-13: error: linker command failed with exit code 1 (use -v to see invocation) make: *** [openmx] Error 1 ---------------------------------------------------------------- <<< I would appreciate if you help me. Sincerely, Takeru Nakashima Re: MacOS installation error, OpenMX-3.9 ( No.6 ) Date: 2022/04/20 20:16 Name: Takeru Nakashima >>5 I upgraded homebrew, reinstalled their packages today, and then makefile passed through well. Thank you.

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