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leihongwen木虫 (小有名气)
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[交流]
【求助】vasp 程序安装问题 已有3人参与
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各位大侠，看看下边我安装VASP时的问题出在哪？ 非常感谢 lei@lei-desktop:~/vasp/vasp.4.6$ make rm -f vasp ifort -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fftw3d.o fft3dlib.o /opt/intel/mkl/10.2.5.035/interfaces/fftw3xf/libfftw3xf_gnu.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -L/opt/intel/mkl/10.2.5.035/lib/32 -I/opt/intel/mkl/10.2.5.035/include/32/ -lmkl_intel -lmkl_sequential -lmkl_core -lpthread -L/opt/intel/mkl/10.2.5.035/lib/32 -I/opt/intel/mkl/10.2.5.035/include/32/ -lmkl_intel -lmkl_sequential -lmkl_core -lpthread main.o: In function `MAIN__': main.f90:(.text+0x29bf): undefined reference to `rdatab_' main.f90:(.text+0x16e04): undefined reference to `rdatab_' main.f90:(.text+0x17010): undefined reference to `rdatab_' main.f90:(.text+0x18f28): undefined reference to `wforce_' main.f90:(.text+0x195f5): undefined reference to `rdatab_' main.f90:(.text+0x2a38d): undefined reference to `wforce_' main.f90:(.text+0x2abe4): undefined reference to `wforce_' main.f90:(.text+0x2afe1): undefined reference to `wforce_' main.f90:(.text+0x2bfdf): undefined reference to `wforce_' main.f90:(.text+0x2e961): undefined reference to `wforce_' main.f90:(.text+0x2f4a9): undefined reference to `reopen_' main.f90:(.text+0x30080): undefined reference to `reopen_' main.f90:(.text+0x305b0): undefined reference to `wforce_' poscar.o: In function `poscar_mp_rd_poscar_head_': poscar.f90:(.text+0x4e1): undefined reference to `nitems_' poscar.f90:(.text+0x88d): undefined reference to `nitems_' poscar.f90:(.text+0xda3): undefined reference to `nitems_' poscar.o: In function `poscar_mp_rd_poscar_': poscar.f90:(.text+0x1243): undefined reference to `nitems_' poscar.o: In function `poscar_mp_outpos_trail_': poscar.f90:(.text+0x596a): undefined reference to `reopen_' pseudo.o: In function `pseudo_mp_rdpars_.': pseudo.f90:(.text+0x6d45): undefined reference to `length_' nonlr.o: In function `nonlr_mp_lreal_compat_mode_': nonlr.f90:(.text+0x65f): undefined reference to `rdatab_' charge.o: In function `gga_compat_mode_': charge.f90:(.text+0x263e): undefined reference to `rdatab_' constrmag.o: In function `constrained_m_modular_mp_constrained_m_reader_': constrmag.f90:(.text+0x174): undefined reference to `rdatab_' constrmag.f90:(.text+0x482): undefined reference to `rdatab_' constrmag.f90:(.text+0x781): undefined reference to `rdatab_' cl_shift.o:cl_shift.f90:(.text+0xa2b4): more undefined references to `rdatab_' follow reader.o: In function `reader_': reader.f90:(.text+0x1de): undefined reference to `strip_' reader.f90:(.text+0x2cd): undefined reference to `rdatab_' reader.f90:(.text+0x41e): undefined reference to `rdatab_' reader.f90:(.text+0x5a6): undefined reference to `rdatab_' reader.f90:(.text+0x616): undefined reference to `strip_' reader.f90:(.text+0x625): undefined reference to `lower_' reader.f90:(.text+0x747): undefined reference to `rdatab_' reader.f90:(.text+0x7e8): undefined reference to `strip_' reader.f90:(.text+0x7f7): undefined reference to `upper_' reader.f90:(.text+0x8d0): undefined reference to `rdatab_' reader.f90:(.text+0xa1b): undefined reference to `rdatab_' reader.f90:(.text+0xaca): undefined reference to `strip_' reader.f90:(.text+0xbc6): undefined reference to `rdatab_' reader.f90:(.text+0xd1a): undefined reference to `rdatab_' reader.f90:(.text+0xe71): undefined reference to `rdatab_' reader.f90:(.text+0xfcc): undefined reference to `rdatab_' reader.f90:(.text+0x1137): undefined reference to `rdatab_' reader.o:reader.f90:(.text+0x12f9): more undefined references to `rdatab_' follow reader.o: In function `reader_': reader.f90:(.text+0x8f32): undefined reference to `strip_' reader.f90:(.text+0x8f41): undefined reference to `upper_' reader.f90:(.text+0x9091): undefined reference to `rdatab_' reader.f90:(.text+0x9207): undefined reference to `rdatab_' reader.f90:(.text+0x935e): undefined reference to `rdatab_' reader.f90:(.text+0x94fb): undefined reference to `rdatab_' reader.f90:(.text+0x95d1): undefined reference to `rdatab_' reader.f90:(.text+0x962b): undefined reference to `strip_' reader.f90:(.text+0x981a): undefined reference to `rdatab_' writer.o: In function `writer_mp_writer_reader_': writer.f90:(.text+0x14b): undefined reference to `rdatab_' writer.f90:(.text+0x2b2): undefined reference to `rdatab_' tutor.o: In function `vtutor_': tutor.f90:(.text+0x69): undefined reference to `strip_' fileio.o: In function `fileio_mp_readni_': fileio.f90:(.text+0x97a6): undefined reference to `nitems_' fileio.f90:(.text+0x97f7): undefined reference to `subwrd_' fileio.f90:(.text+0x9816): undefined reference to `chkint_' fileio.f90:(.text+0x988f): undefined reference to `strip_' fileio.o: In function `fileio_mp_readch_': fileio.f90:(.text+0x9c7c): undefined reference to `nitems_' fileio.f90:(.text+0x9cdb): undefined reference to `subwrd_' fileio.f90:(.text+0x9cfd): undefined reference to `chkint_' fileio.f90:(.text+0x9d91): undefined reference to `strip_' dipol.o: In function `mdipol_mp_field_reader_': dipol.f90:(.text+0x16e): undefined reference to `rdatab_' electron.o: In function `elmin_': electron.f90:(.text+0x3a05): undefined reference to `wforce_' electron.f90:(.text+0x46c6): undefined reference to `rdatab_' electron.f90:(.text+0x57c2): undefined reference to `wforce_' pardens.o: In function `pardens_mp_parchg_': pardens.f90:(.text+0x58f): undefined reference to `wforce_' pardens.f90:(.text+0xbea): undefined reference to `wforce_' pardens.f90:(.text+0xe9b): undefined reference to `clean_' pardens.f90:(.text+0xea3): undefined reference to `nxtfru_' pardens.f90:(.text+0xf63): undefined reference to `clean_' pardens.f90:(.text+0xf6b): undefined reference to `nxtfru_' pardens.f90:(.text+0x1c10): undefined reference to `nxtfru_' pardens.f90:(.text+0x2318): undefined reference to `wforce_' pardens.f90:(.text+0x5963): undefined reference to `wforce_' pardens.f90:(.text+0x5b20): undefined reference to `wforce_' pardens.f90:(.text+0x5bbd): undefined reference to `wforce_' pardens.o: In function `pardensparchg_mp_read_pard_': pardens.f90:(.text+0x657b): undefined reference to `wforce_' pardens.f90:(.text+0x6763): undefined reference to `nxtfru_' pardens.f90:(.text+0x6a53): undefined reference to `rdatab_' pardens.f90:(.text+0x6b3e): undefined reference to `rdatab_' pardens.f90:(.text+0x6f37): undefined reference to `wforce_' pardens.f90:(.text+0x701d): undefined reference to `rdatab_' pardens.f90:(.text+0x769d): undefined reference to `rdatab_' pardens.f90:(.text+0x7b72): undefined reference to `wforce_' pardens.f90:(.text+0x7c01): undefined reference to `wforce_' pardens.f90:(.text+0x7c90): undefined reference to `wforce_' pardens.f90:(.text+0x7d6c): undefined reference to `rdatab_' pardens.f90:(.text+0x823b): undefined reference to `wforce_' pardens.f90:(.text+0x8313): undefined reference to `rdatab_' pardens.f90:(.text+0x83ac): undefined reference to `wforce_' pardens.f90:(.text+0x8484): undefined reference to `rdatab_' pardens.f90:(.text+0x8518): undefined reference to `wforce_' pardens.f90:(.text+0x868c): undefined reference to `rdatab_' pardens.f90:(.text+0x8d09): undefined reference to `wforce_' pardens.f90:(.text+0x8df5): undefined reference to `rdatab_' pardens.f90:(.text+0x959a): undefined reference to `wforce_' pardens.o: In function `pardensparchg_mp_write_eigv_': pardens.f90:(.text+0xaf1b): undefined reference to `wforce_' paircorrection.o: In function `pair_correction_': paircorrection.f90:(.text+0x107): undefined reference to `rdatab_' optics.o: In function `calc_nabij_': optics.f90:(.text+0xe5): undefined reference to `rdatab_' optics.f90:(.text+0x27c): undefined reference to `rdatab_' optics.f90:(.text+0x44b): undefined reference to `rdatab_' optics.f90:(.text+0x5d7): undefined reference to `rdatab_' elpol.o:elpol.f90:(.text+0x502): more undefined references to `rdatab_' follow make: *** [vasp] 错误 1 lei@lei-desktop:~/vasp/vasp.4.6$ |
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leihongwen
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