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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Vasp&MedeA » vasp5.2的编译问题 非常感谢 ！！
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tuhaidan

银虫 (小有名气)
运行结果：
rm -f vasp
/opt/intel/bin/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       xclib.o     xclib_grad.o radial.o   pseudo.o   mgrid.o    gridq.o     ebs.o mkpoints.o wave.o     wave_mpi.o  wave_high.o symmetry.o symlib.o   lattlib.o  random.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    rhfatm.o  paw.o mkpoints_full.o       charge.o   dipol.o    pot.o dos.o      elf.o      tet.o      tetweight.o hamil_rot.o steep.o    chain.o    dyna.o     sphpro.o    us.o  core_rel.o aedens.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 chgloc.o   fast_aug.o fock.o     mkpoints_change.o sym_grad.o mymath.o   internals.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o hamil_high.o nmr.o    force.o pead.o     subrot.o   subrot_scf.o pwlhf.o  gw_model.o optreal.o   davidson.o electron.o rot.o  electron_all.o shm.o    pardens.o  paircorrection.o optics.o   constr_cell_relax.o   stm.o    finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o  subrot_cluster.o subrot_lr.o lr_helper.o hamil_lrf.o   elinear_response.o ilinear_response.o linear_optics.o linear_response.o setlocalpp.o  wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o ump2.o bse.o acfdt.o chi.o sydmat.o    fft3dfurth.o fft3dlib.o -L../vasp.5.lib -ldmy ../vasp.5.lib/linpack_double.o ../vasp.5.lib/lapack_double.o /opt/GotoBLAS2/libgoto2_penrynp-r1.13.so
main.o: In function `MAIN__':
main.f90:(.text+0x2e27): undefined reference to `rdatab_'
main.f90:(.text+0x1a05a): undefined reference to `rdatab_'
main.f90:(.text+0x1a2b0): undefined reference to `rdatab_'
main.f90:(.text+0x1bf69): undefined reference to `wforce_'
main.f90:(.text+0x1de3d): undefined reference to `rdatab_'
main.f90:(.text+0x2c20c): undefined reference to `wforce_'
main.f90:(.text+0x2cc13): undefined reference to `wforce_'
main.f90:(.text+0x2d070): undefined reference to `wforce_'
main.f90:(.text+0x2da04): undefined reference to `wforce_'
main.f90:(.text+0x302a5): undefined reference to `wforce_'
main.f90:(.text+0x30a82): undefined reference to `reopen_'
main.f90:(.text+0x312c1): undefined reference to `reopen_'
main.f90:(.text+0x3192c): undefined reference to `wforce_'
xml.o: In function `vaspxml_mp_xml_flush_':
xml.f90:(.text+0x25): undefined reference to `wforce_'
poscar.o: In function `poscar_mp_rd_poscar_head_':
poscar.f90:(.text+0x7db): undefined reference to `nitems_'
poscar.f90:(.text+0xcce): undefined reference to `nitems_'
poscar.f90:(.text+0xf71): undefined reference to `nitems_'
poscar.f90:(.text+0x13b1): undefined reference to `nitems_'
poscar.f90:(.text+0x1699): undefined reference to `nitems_'
poscar.o:poscar.f90:(.text+0x1a7f): more undefined references to `nitems_' follow
poscar.o: In function `poscar_mp_outpos_trail_':
poscar.f90:(.text+0x909a): undefined reference to `reopen_'
pseudo.o: In function `pseudo_mp_rdpars_.':
pseudo.f90:(.text+0x8c7e): undefined reference to `length_'
nonlr.o: In function `nonlr_mp_lreal_compat_mode_':
nonlr.f90:(.text+0x163): undefined reference to `rdatab_'
constrmag.o: In function `constrained_m_modular_mp_constrained_m_reader_':
constrmag.f90:(.text+0x1c2): undefined reference to `rdatab_'
constrmag.f90:(.text+0x4c6): undefined reference to `rdatab_'
constrmag.f90:(.text+0x6fb): undefined reference to `rdatab_'
constrmag.f90:(.text+0xd95): undefined reference to `rdatab_'
cl_shift.o:cl_shift.f90:(.text+0xfea0): more undefined references to `rdatab_' follow
metagga.o: In function `setxcmeta_mp_xc_meta_reader_':
metagga.f90:(.text+0x1f6): undefined reference to `strip_'
metagga.f90:(.text+0x205): undefined reference to `upper_'
metagga.f90:(.text+0x3f8): undefined reference to `rdatab_'
metagga.f90:(.text+0x547): undefined reference to `rdatab_'
metagga.f90:(.text+0x6cb): undefined reference to `rdatab_'
metagga.f90:(.text+0xc00): undefined reference to `rdatab_'
egrad.o: In function `egrad_mp_egrad_reader_':
egrad.f90:(.text+0x14d): undefined reference to `rdatab_'
rhfatm.o:rhfatm.f90:(.text+0xf61): more undefined references to `rdatab_' follow
core_rel.o: In function `core_rel_mp_init_core_rel_':
core_rel.f90:(.text+0x3cf95): undefined reference to `strip_'
core_rel.f90:(.text+0x3d0da): undefined reference to `rdatab_'
core_rel.f90:(.text+0x3d26a): undefined reference to `rdatab_'
core_rel.f90:(.text+0x3d3e6): undefined reference to `rdatab_'
core_rel.f90:(.text+0x3d579): undefined reference to `rdatab_'
core_rel.f90:(.text+0x3d70f): undefined reference to `rdatab_'
core_rel.o:core_rel.f90:(.text+0x3d84a): more undefined references to `rdatab_' follow
reader.o: In function `reader_':
reader.f90:(.text+0x25c): undefined reference to `strip_'
reader.f90:(.text+0x378): undefined reference to `rdatab_'
reader.f90:(.text+0x4fc): undefined reference to `rdatab_'
reader.f90:(.text+0x6d3): undefined reference to `rdatab_'
reader.f90:(.text+0x771): undefined reference to `strip_'
reader.f90:(.text+0x78b): undefined reference to `lower_'
reader.f90:(.text+0x8ba): undefined reference to `rdatab_'
reader.f90:(.text+0xa70): undefined reference to `rdatab_'
reader.f90:(.text+0xb6b): undefined reference to `strip_'
reader.f90:(.text+0xb85): undefined reference to `lower_'
reader.f90:(.text+0xcc8): undefined reference to `rdatab_'
reader.f90:(.text+0xe49): undefined reference to `rdatab_'
reader.f90:(.text+0xfcd): undefined reference to `rdatab_'
reader.f90:(.text+0x1154): undefined reference to `rdatab_'
reader.f90:(.text+0x12df): undefined reference to `rdatab_'
reader.o:reader.f90:(.text+0x147c): more undefined references to `rdatab_' follow
reader.o: In function `reader_':
reader.f90:(.text+0xb0d0): undefined reference to `strip_'
reader.f90:(.text+0xb2e4): undefined reference to `rdatab_'
writer.o: In function `writer_mp_writer_reader_':
writer.f90:(.text+0x147): undefined reference to `rdatab_'
writer.f90:(.text+0x29b): undefined reference to `rdatab_'
tutor.o: In function `vtutor_':
tutor.f90:(.text+0x95): undefined reference to `strip_'
fileio.o: In function `fileio_mp_readni_':
fileio.f90:(.text+0x73ec): undefined reference to `nitems_'
fileio.f90:(.text+0x7448): undefined reference to `subwrd_'
fileio.f90:(.text+0x7467): undefined reference to `chkint_'
fileio.f90:(.text+0x74e6): undefined reference to `strip_'
fileio.o: In function `fileio_mp_readch_':
fileio.f90:(.text+0x7ab7): undefined reference to `nitems_'
fileio.f90:(.text+0x7b32): undefined reference to `subwrd_'
fileio.f90:(.text+0x7b54): undefined reference to `chkint_'
fileio.f90:(.text+0x7c17): undefined reference to `strip_'
fileio.o: In function `fileio_mp_readpot_':
fileio.f90:(.text+0x9d43): undefined reference to `nitems_'
fileio.f90:(.text+0x9db5): undefined reference to `subwrd_'
fileio.f90:(.text+0x9dd7): undefined reference to `chkint_'
fileio.f90:(.text+0x9e9a): undefined reference to `strip_'
fock.o: In function `fock_mp_xc_fock_reader_':
fock.f90:(.text+0x1be): undefined reference to `rdatab_'
fock.f90:(.text+0x35b): undefined reference to `rdatab_'
fock.f90:(.text+0x4db): undefined reference to `rdatab_'
fock.f90:(.text+0x663): undefined reference to `rdatab_'
fock.f90:(.text+0x7cf): undefined reference to `rdatab_'
fock.o:fock.f90:(.text+0x93b): more undefined references to `rdatab_' follow
fock.o: In function `fock_mp_xc_fock_reader_':
fock.f90:(.text+0x104c): undefined reference to `strip_'
fock.f90:(.text+0x105b): undefined reference to `upper_'
fock.f90:(.text+0x115f): undefined reference to `rdatab_'
fock.f90:(.text+0x12c1): undefined reference to `rdatab_'
fock.f90:(.text+0x1487): undefined reference to `rdatab_'
fock.f90:(.text+0x16b8): undefined reference to `rdatab_'
fock.f90:(.text+0x1886): undefined reference to `rdatab_'
fock.o:fock.f90:(.text+0x1a01): more undefined references to `rdatab_' follow
fock.o: In function `fock_mp_xc_fock_reader_':
fock.f90:(.text+0x3f34): undefined reference to `strip_'
fock.f90:(.text+0x3f43): undefined reference to `lower_'
fock.f90:(.text+0x41ba): undefined reference to `rdatab_'
fock.f90:(.text+0x4310): undefined reference to `rdatab_'
fock.f90:(.text+0x446f): undefined reference to `rdatab_'
fock.o: In function `fock_mp_setup_fock_':
fock.f90:(.text+0x5393): undefined reference to `wforce_'
dimer_heyden.o: In function `dimer_heyden_mp_dimer_read_input_.':
dimer_heyden.f90:(.text+0x20711): undefined reference to `rdatab_'
dimer_heyden.f90:(.text+0x20859): undefined reference to `rdatab_'
dimer_heyden.f90:(.text+0x209a4): undefined reference to `rdatab_'
dimer_heyden.f90:(.text+0x20b1c): undefined reference to `rdatab_'
dimer_heyden.f90:(.text+0x20c91): undefined reference to `rdatab_'
dimer_heyden.o:dimer_heyden.f90:(.text+0x20e06): more undefined references to `rdatab_' follow
subrot_scf.o: In function `subrotscf_mp_subrot_scf_':
subrot_scf.f90:(.text+0x5c36): undefined reference to `wforce_'
subrot_scf.o: In function `subrotscf_mp_setup_subrot_scf_':
subrot_scf.f90:(.text+0x9713): undefined reference to `rdatab_'
gw_model.o: In function `gw_model_mp_gwdynsm1_ij_':
gw_model.f90:(.text+0x1610): undefined reference to `rdatab_'
electron.o: In function `elmin_':
electron.f90:(.text+0x3a6f): undefined reference to `wforce_'
electron.f90:(.text+0x47ba): undefined reference to `rdatab_'
electron.f90:(.text+0x6266): undefined reference to `wforce_'
electron_all.o: In function `elmin_all_':
electron_all.f90:(.text+0x61d1): undefined reference to `wforce_'
electron_all.f90:(.text+0x65b4): undefined reference to `rdatab_'
electron_all.f90:(.text+0x890b): undefined reference to `wforce_'
pardens.o: In function `pardens_mp_parchg_':
pardens.f90:(.text+0x56f): undefined reference to `wforce_'
pardens.f90:(.text+0xd2d): undefined reference to `wforce_'
pardens.f90:(.text+0x11ad): undefined reference to `clean_'
pardens.f90:(.text+0x11ba): undefined reference to `nxtfru_'
pardens.f90:(.text+0x12b0): undefined reference to `clean_'
pardens.f90:(.text+0x12bd): undefined reference to `nxtfru_'
pardens.f90:(.text+0x1d4c): undefined reference to `nxtfru_'
pardens.f90:(.text+0x240d): undefined reference to `wforce_'
pardens.f90:(.text+0x5ec3): undefined reference to `wforce_'
pardens.f90:(.text+0x60c9): undefined reference to `wforce_'
pardens.f90:(.text+0x6184): undefined reference to `wforce_'
pardens.o: In function `pardensparchg_mp_read_pard_':
pardens.f90:(.text+0x6b83): undefined reference to `wforce_'
pardens.f90:(.text+0x6d44): undefined reference to `nxtfru_'
pardens.f90:(.text+0x7007): undefined reference to `rdatab_'
pardens.f90:(.text+0x70f2): undefined reference to `rdatab_'
pardens.f90:(.text+0x7498): undefined reference to `wforce_'
pardens.f90:(.text+0x757d): undefined reference to `rdatab_'
pardens.f90:(.text+0x7c7c): undefined reference to `rdatab_'
pardens.f90:(.text+0x80f4): undefined reference to `wforce_'
pardens.f90:(.text+0x8185): undefined reference to `wforce_'
pardens.f90:(.text+0x8208): undefined reference to `wforce_'
pardens.f90:(.text+0x82dc): undefined reference to `rdatab_'
pardens.f90:(.text+0x8776): undefined reference to `wforce_'
pardens.f90:(.text+0x8846): undefined reference to `rdatab_'
pardens.f90:(.text+0x88cc): undefined reference to `wforce_'
pardens.f90:(.text+0x899c): undefined reference to `rdatab_'
pardens.f90:(.text+0x8a22): undefined reference to `wforce_'
pardens.f90:(.text+0x8b96): undefined reference to `rdatab_'
pardens.f90:(.text+0x9198): undefined reference to `wforce_'
pardens.f90:(.text+0x9287): undefined reference to `rdatab_'
pardens.f90:(.text+0x9994): undefined reference to `wforce_'
pardens.o: In function `pardensparchg_mp_write_eigv_':
pardens.f90:(.text+0xb0a0): undefined reference to `wforce_'
paircorrection.o: In function `pair_correction_':
paircorrection.f90:(.text+0x182): undefined reference to `rdatab_'
optics.o: In function `calc_nabij_':
optics.f90:(.text+0xdd): undefined reference to `rdatab_'
optics.f90:(.text+0x2ae): undefined reference to `rdatab_'
optics.f90:(.text+0x4b5): undefined reference to `rdatab_'
optics.f90:(.text+0x67b): undefined reference to `rdatab_'
elpol.o:elpol.f90:(.text+0x4f2): more undefined references to `rdatab_' follow
elinear_response.o: In function `mlrf_main_mp_lrf_main_':
elinear_response.f90:(.text+0x6ac4): undefined reference to `wforce_'
elinear_response.f90:(.text+0x177b0): undefined reference to `wforce_'
elinear_response.o: In function `mlrf_main_mp_lrf_rphi_':
elinear_response.f90:(.text+0x198dd): undefined reference to `wforce_'
elinear_response.f90:(.text+0x1ca02): undefined reference to `wforce_'
elinear_response.o: In function `mlrf_main_mp_lr_reader_':
elinear_response.f90:(.text+0x1fe03): undefined reference to `rdatab_'
elinear_response.f90:(.text+0x1ff6d): undefined reference to `rdatab_'
elinear_response.f90:(.text+0x200cc): undefined reference to `rdatab_'
elinear_response.f90:(.text+0x2022b): undefined reference to `rdatab_'
elinear_response.f90:(.text+0x2038a): undefined reference to `rdatab_'
elinear_response.o:elinear_response.f90:(.text+0x204f0): more undefined references to `rdatab_' follow
ilinear_response.o: In function `lri_main_mp_lr_main_':
ilinear_response.f90:(.text+0x8744): undefined reference to `wforce_'
ilinear_response.f90:(.text+0x23de3): undefined reference to `wforce_'
linear_optics.o: In function `mlr_optic_mp_lr_optic_':
linear_optics.f90:(.text+0xa61): undefined reference to `wforce_'
linear_response.o: In function `mlr_main_mp_lr_skeleton_':
linear_response.f90:(.text+0x3696): undefined reference to `wforce_'
linear_response.f90:(.text+0x3eb1): undefined reference to `wforce_'
linear_response.o:linear_response.f90:(.text+0x4c78): more undefined references to `wforce_' follow
wannier.o: In function `wannier_mp_wannier_reader_':
wannier.f90:(.text+0x144): undefined reference to `rdatab_'
electron_OEP.o: In function `elmin_oep_':
electron_OEP.f90:(.text+0x4d50): undefined reference to `wforce_'
electron_OEP.f90:(.text+0x5acf): undefined reference to `rdatab_'
electron_OEP.f90:(.text+0x88b5): undefined reference to `wforce_'
electron_lhf.o: In function `elmin_lhf_':
electron_lhf.f90:(.text+0x3e85): undefined reference to `wforce_'
electron_lhf.f90:(.text+0x4ba1): undefined reference to `rdatab_'
electron_lhf.f90:(.text+0x682f): undefined reference to `wforce_'
wave_cacher.o: In function `wave_cacher_mp_eddiag_gw_':
wave_cacher.f90:(.text+0x5188): undefined reference to `rdatab_'
chi.o: In function `xi_mp_response_reader_':
chi.f90:(.text+0x146): undefined reference to `rdatab_'
chi.f90:(.text+0x284): undefined reference to `rdatab_'
chi.f90:(.text+0x3f0): undefined reference to `rdatab_'
chi.f90:(.text+0x54f): undefined reference to `rdatab_'
chi.o:chi.f90:(.text+0x6b1): more undefined references to `rdatab_' follow
chi.o: In function `xi_mp_set_gw_from_algo_.':
chi.f90:(.text+0x3372): undefined reference to `strip_'
chi.f90:(.text+0x337c): undefined reference to `lower_'
chi.f90:(.text+0x3386): undefined reference to `length_'
chi.o: In function `xi_mp_calculate_xi_':
chi.f90:(.text+0xc43d): undefined reference to `wforce_'
chi.f90:(.text+0x10dc5): undefined reference to `wforce_'
make: *** [vasp] Error 1
   
求详解，谢谢啦
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11楼2011-05-18 15:18:13
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enola

捐助贵宾 (正式写手)
引用回帖:
Originally posted by tuhaidan at 2011-05-18 15:18:13:
运行结果：
rm -f vasp
/opt/intel/bin/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      ...

不是很懂，你为什么要rm -f vasp
或许先make clean一下
然后再make
OFLAG=-O3

可以改成
OFLAG=-O2
其他的好像是对的。。。
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timeflies..
12楼2011-05-20 08:53:03
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tuhaidan

银虫 (小有名气)
结果还是一样地方的，
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13楼2011-05-21 16:38:33
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future_wl

木虫 (著名写手)
你好，请问你的问题解决了吗？我编译的时候也出现了类似的情况，类似这样的：
chi.f90.text+0x337c): undefined reference to `lower_'
chi.f90.text+0x3386): undefined reference to `length_'
chi.o: In function `xi_mp_calculate_xi_':
chi.f90.text+0xc43d): undefined reference to `wforce_'
chi.f90.text+0x10dc5): undefined reference to `wforce_'
make: *** [vasp] Error 1
是不是BLAS和LAPACK的问题呢？
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未来就是现在
14楼2012-08-04 11:04:34
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future_wl

木虫 (著名写手)
晕，怎么出快捷键了
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未来就是现在
15楼2012-08-04 11:05:20
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