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【求助】vasp編譯問題 BLAS 已有6人參與
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我用的是ifort and intel mkl，32位單機(jī) makefile里面的BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread是什么意思呀 在這個(gè)目錄理沒有-lmkl_p4 -lpthread 編譯出現(xiàn)如下錯(cuò)誤 請高手賜教 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 /usr/local/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -L/opt/intel/mkl/10.2.4.032/lib/32 -lmkl_p4 -lguide -lpthread -L/opt/intel/mkl/10.2.4.032/lib/32 -lmkl_p4 -lguide -lpthread radial.o: In function `radial_mp_aug_setq_': radial.f90:(.text+0xbdfd): undefined reference to `dgetrf_' radial.f90:(.text+0xbe2c): undefined reference to `dgetrs_' nonl.o: In function `nonl_mp_vnlac0_.': nonlr.f90:(.text+0x2442): undefined reference to `dgemm_' nonlr.o: In function `nonlr_mp_racc0_.': nonlr.f90:(.text+0x2a02): undefined reference to `dgemv_' nonlr.f90:(.text+0x2a59): undefined reference to `dgemv_' nonlr.o: In function `nonlr_mp_rpromu_.': ......... dfast.o: In function `dfast_mp_orthon_': dfast.f90:(.text+0x78a): undefined reference to `zgemv_' dfast.f90:(.text+0x835): undefined reference to `zgemv_' dfast.f90:(.text+0x8de): undefined reference to `zgemm_' dfast.f90:(.text+0x99c): undefined reference to `zgemm_' ............ dfast.o:dfast.f90:(.text+0x30cf): more undefined references to `zgemm_' follow choleski2.o: In function `choleski_mp_orthch_': choleski2.f90:(.text+0x87e): undefined reference to `zpotrf_' choleski2.f90:(.text+0x8b7): undefined reference to `ztrtri_' LDApU.o: In function `ldaplusu_module_mp_ldaplusu_printocc_': LDApU.f90:(.text+0xb215): undefined reference to `zheev_' wavpre.o: In function `mwavpre_mp_wavpre_': wavpre.f90:(.text+0x170b): undefined reference to `zdotc_' wavpre.f90:(.text+0x1740): undefined reference to `zdotc_' wavpre.f90:(.text+0x4784): undefined reference to `zgemm_' wavpre.f90:(.text+0x48d9): undefined reference to `zheev_' wavpre.f90:(.text+0x4b19): undefined reference to `zgemm_' wavpre.f90:(.text+0x4c9d): undefined reference to `zgemm_' wavpre.f90:(.text+0x6f18): undefined reference to `zdotc_' wavpre.f90:(.text+0x6f68): undefined reference to `zdotc_' wavpre_noio.o: In function `mwavpre_noio_mp_wavpre_noio_': wavpre_noio.f90:(.text+0x4805): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x4aa2): undefined reference to `zheevx_' wavpre_noio.f90:(.text+0x4db7): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x4f41): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x6440): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x64a4): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x8fe3): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x9096): undefined reference to `zdotc_' broyden.o: In function `broyden_mp_broyd_.': broyden.f90:(.text+0x3e05): undefined reference to `dgegv_' dynbr.o: In function `brzero_.': dynbr.f90:(.text+0x2539): undefined reference to `dgegv_' rmm-diis.o: In function `rmm_diis_mp_eddrmm_': rmm-diis.f90:(.text+0x4428): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x4564): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x4664): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x48f7): undefined reference to `zhegv_' rmm-diis.f90:(.text+0x5454): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x5669): undefined reference to `zgemv_' subrot.o: In function `subrot_mp_eddiag_': subrot.f90:(.text+0x1626): undefined reference to `zhegv_' subrot.f90:(.text+0x17ab): undefined reference to `zheevx_' optreal.o: In function `optreal_': optreal.f90:(.text+0x1092): undefined reference to `dgetrf_' optreal.f90:(.text+0x10ca): undefined reference to `dgetrs_' optreal.o: In function `optreal_new_': optreal.f90:(.text+0x4111): undefined reference to `dgetrf_' optreal.f90:(.text+0x4149): undefined reference to `dgetrs_' davidson.o: In function `david_mp_eddav_': davidson.f90:(.text+0x3732): undefined reference to `zhegv_' davidson.f90:(.text+0x3b1d): undefined reference to `zgemm_' davidson.f90:(.text+0x3bea): undefined reference to `zgemm_' davidson.f90:(.text+0x51c2): undefined reference to `zgemm_' davidson.f90:(.text+0x5278): undefined reference to `zgemm_' davidson.f90:(.text+0x5f9a): undefined reference to `zheevx_' optics.o: In function `nabij_soft_.': optics.f90:(.text+0x2ebe): undefined reference to `zgemm_' finite_diff.o: In function `finite_differences_mp_finite_diff_': finite_diff.f90:(.text+0x3a56): undefined reference to `dsyev_' ../vasp.4.lib/linpack_double.o: In function `zgefa_': linpack_double.f:(.text+0x9a): undefined reference to `izamax_' linpack_double.f:(.text+0x51c): undefined reference to `zscal_' linpack_double.f:(.text+0x78e): undefined reference to `zaxpy_' ../vasp.4.lib/linpack_double.o: In function `zgeco_': linpack_double.f:(.text+0x977): undefined reference to `dzasum_' linpack_double.f:(.text+0x4535): undefined reference to `zswap_' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_ft_nn_nd' ........... [ Last edited by bird007 on 2010-4-18 at 19:44 ] |
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5樓2010-04-18 19:27:03
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.......... /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_blas_zaxpy' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_dft_commit_descriptor_d_c2c_1d_omp' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_dft_commit_descriptor_d_r2c_1d_omp' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_d_ft_nn_dd' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_inv_ft_nn_nd' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_lu_3d_dn' [ Last edited by bird007 on 2010-4-18 at 19:45 ] |
2樓2010-04-18 17:06:39
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