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[求助]
vasp5.2的编译问题 非常感谢 ！！
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我刚刚接触vasp5.2，在编译的时候出啦问题，望师兄师姐帮忙，谢谢了！！！ 我的结果 thd@ubuntu:~/installed/vasp.5.2$ make cc -E cc: no input files make: *** [base.o] Error 1 makefile文件就是 .SUFFIXES: .inc .f .f90 .F #----------------------------------------------------------------------- # Makefile for Intel Fortran compiler for Pentium/Athlon/Opteron # bases systems # we recommend this makefile for both Intel as well as AMD systems # for AMD based systems appropriate BLAS and fftw libraries are # however mandatory (whereas they are optional for Intel platforms) # # The makefile was tested only under Linux on Intel and AMD platforms # the following compiler versions have been tested: # - ifc.7.1 works stable somewhat slow but reliably # - ifc.8.1 fails to compile the code properly # - ifc.9.1 recommended (both for 32 and 64 bit) # - ifc.10.1 partially recommended (both for 32 and 64 bit) # tested build 20080312 Package ID: l_fc_p_10.1.015 # the gamma only mpi version can not be compiles # using ifc.10.1 # # it might be required to change some of library pathes, since # LINUX installation vary a lot # Hence check ***ALL*** options in this makefile very carefully #----------------------------------------------------------------------- # # BLAS must be installed on the machine # there are several options: # 1) very slow but works: # retrieve the lapackage from ftp.netlib.org # and compile the blas routines (BLAS/SRC directory) # please use g77 or f77 for the compilation. When I tried to # use pgf77 or pgf90 for BLAS, VASP hang up when calling # ZHEEV (however this was with lapack 1.1 now I use lapack 2.0) # 2) more desirable: get an optimized BLAS # # the two most reliable packages around are presently: # 2a) Intels own optimised BLAS (PIII, P4, PD, PC2, Itanium) # http://developer.intel.com/software/products/mkl/ # this is really excellent, if you use Intel CPU's # # 2b) probably fastest SSE2 (4 GFlops on P4, 2.53 GHz, 16 GFlops PD, # around 30 GFlops on Quad core) # Kazushige Goto's BLAS # http://www.cs.utexas.edu/users/kgoto/signup_first.html # http://www.tacc.utexas.edu/resources/software/ # #----------------------------------------------------------------------- # MKLINCLUDE=/opt/intel/mkl/include/ # MKLPATH=/opt/intel/mkl/lib/ia32/ # all CPP processed fortran files have the extension .f90 SUFFIX=.f90 #----------------------------------------------------------------------- # fortran compiler and linker #----------------------------------------------------------------------- FC=ifort # fortran linker FCL=$(FC) #----------------------------------------------------------------------- # whereis CPP ?? (I need CPP, can't use gcc with proper options) # that's the location of gcc for SUSE 5.3 # # CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C # # that's probably the right line for some Red Hat distribution: # # CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C # # SUSE X.X, maybe some Red Hat distributions: CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX) #----------------------------------------------------------------------- # possible options for CPP: # NGXhalf charge density reduced in X direction # wNGXhalf gamma point only reduced in X direction # avoidalloc avoid ALLOCATE if possible # PGF90 work around some for some PGF90 / IFC bugs # CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4, PD # RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS) # RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS) #----------------------------------------------------------------------- # CPP = $(CPP_) -DHOST=\"LinuxIFC\" \ # -Dkind8 -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \ # -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # general fortran flags (there must a trailing blank on this line) # byterecl is strictly required for ifc, since otherwise # the WAVECAR file becomes huge #----------------------------------------------------------------------- FFLAGS = -FR -lowercase -assume byterecl #----------------------------------------------------------------------- # optimization # we have tested whether higher optimisation improves performance # -axK SSE1 optimization, but also generate code executable on all mach. # xK improves performance somewhat on XP, and a is required in order # to run the code on older Athlons as well # -xW SSE2 optimization # -axW SSE2 optimization, but also generate code executable on all mach. # -tpp6 P3 optimization # -tpp7 P4 optimization #----------------------------------------------------------------------- # ifc.9.1, ifc.10.1 recommended OFLAG=-O3 -xW -tpp7 OFLAG_HIGH = $(OFLAG) OBJ_HIGH = OBJ_NOOPT = DEBUG = -FR -O0 INLINE = $(OFLAG) #----------------------------------------------------------------------- # the following lines specify the position of BLAS and LAPACK # VASP works fastest with the libgoto library # so that's what we recommend #----------------------------------------------------------------------- # mkl.10.0 # set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines #BLAS= /opt/intel/mkl/lib//em64t -lmkl -lpthread # even faster for VASP Kazushige Goto's BLAS # http://www.cs.utexas.edu/users/kgoto/signup_first.html # parallel goto version requires sometimes -libverbs BLAS= /opt/GotoBLAS2/libgoto2_penrynp-r1.13.so # LAPACK, simplest use vasp.5.lib/lapack_double LAPACK= ../vasp.5.lib/lapack_double.o # use the mkl Intel lapack #LAPACK= -lmkl_lapack #----------------------------------------------------------------------- LIB = -L../vasp.5.lib -ldmy \ ../vasp.5.lib/linpack_double.o $(LAPACK) \ $(BLAS) # options for linking, nothing is required (usually) LINK = #----------------------------------------------------------------------- # fft libraries: # VASP.5.2 can use fftw.3.1.X (http://www.fftw.org) # since this version is faster on P4 machines, we recommend to use it #----------------------------------------------------------------------- FFT3D = fft3dfurth.o fft3dlib.o # alternatively: fftw.3.1.X is slighly faster and should be used if available # FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.1.2/lib/libfftw3.a #======================================================================= # MPI section, uncomment the following lines until # general rules and compile lines # presently we recommend OPENMPI, since it seems to offer better # performance than lam or mpich # # !!! Please do not send me any queries on how to install MPI, I will # certainly not answer them !!!! #======================================================================= #----------------------------------------------------------------------- # fortran linker for mpi #----------------------------------------------------------------------- #FC=mpif77 #FCL=$(FC) #----------------------------------------------------------------------- # additional options for CPP in parallel version (see also above): # NGZhalf charge density reduced in Z direction # wNGZhalf gamma point only reduced in Z direction # scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net) #----------------------------------------------------------------------- # CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \ # -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf \ # -DMPI_BLOCK=8000 # -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # location of SCALAPACK # if you do not use SCALAPACK simply leave that section commented out #----------------------------------------------------------------------- #BLACS=$(HOME)/archives/SCALAPACK/BLACS/ #SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK #SCA= $(SCA_)/libscalapack.a \ # $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a SCA= #----------------------------------------------------------------------- # libraries for mpi #----------------------------------------------------------------------- #LIB = -L../vasp.5.lib -ldmy \ # ../vasp.5.lib/linpack_double.o $(LAPACK) \ # $(SCA) $(BLAS) # FFT: fftmpi.o with fft3dlib of Juergen Furthmueller FFT3D = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o # alternatively: fftw.3.1.X is slighly faster and should be used if available #FFT3D = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o /opt/libs/fftw-3.1.2/lib/libfftw3.a #----------------------------------------------------------------------- # general rules and compile lines #----------------------------------------------------------------------- BASIC= symmetry.o symlib.o lattlib.o random.o SOURCE= 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 \ $(BASIC) 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 INC= vasp: $(SOURCE) $(FFT3D) $(INC) main.o rm -f vasp $(FCL) -o vasp main.o $(SOURCE) $(FFT3D) $(LIB) $(LINK) makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC) $(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB) zgemmtest: zgemmtest.o base.o random.o $(INC) $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB) dgemmtest: dgemmtest.o base.o random.o $(INC) $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB) ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC) $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB) kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC) $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB) clean: -rm -f *.g *.f *.o *.L *.mod ; touch *.F main.o: main$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX) xcgrad.o: xcgrad$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX) xcspin.o: xcspin$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX) makeparam.o: makeparam$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX) makeparam$(SUFFIX): makeparam.F main.F # # MIND: I do not have a full dependency list for the include # and MODULES: here are only the minimal basic dependencies # if one strucuture is changed then touch_dep must be called # with the corresponding name of the structure # base.o: base.inc base.F mgrid.o: mgrid.inc mgrid.F constant.o: constant.inc constant.F lattice.o: lattice.inc lattice.F setex.o: setexm.inc setex.F pseudo.o: pseudo.inc pseudo.F poscar.o: poscar.inc poscar.F mkpoints.o: mkpoints.inc mkpoints.F wave.o: wave.F nonl.o: nonl.inc nonl.F nonlr.o: nonlr.inc nonlr.F $(OBJ_HIGH): $(CPP) $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX) $(OBJ_NOOPT): $(CPP) $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX) fft3dlib_f77.o: fft3dlib_f77.F $(CPP) $(F77) $(FFLAGS_F77) -c $*$(SUFFIX) .F.o: $(CPP) $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) .F$(SUFFIX): $(CPP) $(SUFFIX).o: $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) # special rules #----------------------------------------------------------------------- # these special rules are cummulative (that is once failed # in one compiler version, stays in the list forever) # -tpp5|6|7 P, PII-PIII, PIV # -xW use SIMD (does not pay of on PII, since fft3d uses double prec) # all other options do no affect the code performance since -O1 is used fft3dlib.o : fft3dlib.F $(CPP) $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) fft3dfurth.o : fft3dfurth.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) fftw3d.o : fftw3d.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) wave_high.o : wave_high.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) radial.o : radial.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) symlib.o : symlib.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) symmetry.o : symmetry.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) wave_mpi.o : wave_mpi.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) wave.o : wave.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) dynbr.o : dynbr.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) asa.o : asa.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) broyden.o : broyden.F $(CPP) $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) us.o : us.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) LDApU.o : LDApU.F $(CPP) $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) 由于我也是刚刚注册的小米虫，所以没有金币，敬请多多包涵！！！ |
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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 |
11楼2011-05-18 15:18:13
2楼2011-05-13 23:25:23
3楼2011-05-14 11:46:11
liuds7792
金虫 (小有名气)
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- 专业: 凝聚态物性 II ：电子结构
4楼2011-05-14 12:22:27