 Re: problem of instalation ( No.1 ) |
- Date: 2015/05/19 20:51
- Name: Seungjin Kang <detshh@gmail.com>
- I think your system doesn't find required libraries
/usr/bin/ld: cannot find -lg2c
/usr/bin/ld: cannot find -lmpi
So you have to declare the library path in your makefile.
In makefile, you can find lines starting with CC, FC, LIB.
If your mpi library is located in
/home/user/YourDirectory
Then you have to add some commands after LIB as
LIB = -L/home/user/YourDirectory -lmpi
The first option -L/PATH means where the library is located,
and the second option -lLIBRARYNAME means which library to be included
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| Re: problem of instalation ( No.2 ) |
- Date: 2015/05/24 06:36
- Name: youna <hind.benzidi@gmail.com>
- it doesn't work , ihave this error
mpicc -mp -O3 -I/usr/local/include -I./liberi-091216/source 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 Overlap_Cluster.o Hamiltonian_Band.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 Force.o Poisson.o Poisson_ESM.o Cluster_DFT.o Cluster_DFT_Dosout.o Cluster_DFT_ON2.o Band_DFT_Col.o Band_DFT_NonCol.o Band_DFT_kpath.o Band_DFT_MO.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 EulerAngle_Spin.o Smoothing_Func.o Orbital_Moment.o Pot_NeutralAtom.o Simple_Mixing_DM.o DIIS_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 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 Divide_Conquer.o Krylov.o Divide_Conquer_Dosout.o Eigen_lapack.o Eigen_lapack2.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_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 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 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 elpa1.o solve_evp_real.o solve_evp_complex.o exx.o exx_index.o exx_vector.o exx_log.o exx_step1.o exx_step2.o exx_file_overlap.o exx_file_eri.o exx_interface_openmx.o exx_debug.o exx_xc.o exx_rhox.o ./liberi-091216/source/eri.o ./liberi-091216/source/eri_ll.o ./liberi-091216/source/eri_sf.o ./liberi-091216/source/eri_interpolate.o ./liberi-091216/source/eri_gtbl.o ./liberi-091216/source/sbt/eri_sbt.o ./liberi-091216/source/sbt/log/eri_fsbt.o ./liberi-091216/source/sbt/log/eri_logfsbt.o ./liberi-091216/source/sbt/linear/eri_linfsbt.o -L/usr/lib -lfftw3 -llapack -lblas -lg2c -static -lm -o openmx
gcc: error: unrecognized command line option ‘-mp’
makefile:205: recipe for target 'openmx' failed
make: *** [openmx] Error 1
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problem of instalation