[交流] VASP5.2编译依然不过，同志们，会诊一下 已有1人参与

dynconstr.f90(181): error #6404: This name does not have a type, and must have an explicit type.   [DIR_APP]
                OPEN(UNIT=g_io%STRUCTINPUT,FILE=DIR_APP(1:DIR_LEN)//'HILLSPOT',STATUS='REPLACE')
------------------------------------------------^
dynconstr.f90(181): error #6514: A substring must be of type CHARACTER.   [DIR_APP]
                OPEN(UNIT=g_io%STRUCTINPUT,FILE=DIR_APP(1:DIR_LEN)//'HILLSPOT',STATUS='REPLACE')
------------------------------------------------^
dynconstr.f90(181): error #6404: This name does not have a type, and must have an explicit type.   [DIR_LEN]
                OPEN(UNIT=g_io%STRUCTINPUT,FILE=DIR_APP(1:DIR_LEN)//'HILLSPOT',STATUS='REPLACE')
----------------------------------------------------------^
dynconstr.f90(104): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
                  write(IO%IU6,FMT='(3X,A22,X,F10.8)') '      ANDERSEN_PROB = ',ANDERSEN_PROB
-----------------------------------------------^
dynconstr.f90(116): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
                  write(g_io%REPORT,FMT='(3X,A22,X,F10.8)') '      ANDERSEN_PROB = ',ANDERSEN_PROB
----------------------------------------------------^
dynconstr.f90(1489): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(IO%IU6,FMT='(3X,A22,X,F10.8)') '            HILLS_H = ',  high
-----------------------------------------^
dynconstr.f90(1490): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(IO%IU6,FMT='(3X,A22,X,F10.8)') '            HILLS_W = ' , width
-----------------------------------------^
dynconstr.f90(1492): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(IO%IU6,FMT='(3X,A22,X,F10.8)') '       HILLS_STRIDE = ',  hills%stride
-----------------------------------------^
dynconstr.f90(1497): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(g_io%REPORT,FMT='(3X,A22,X,F10.8)') '            HILLS_H = ',  high
----------------------------------------------^
dynconstr.f90(1498): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(g_io%REPORT,FMT='(3X,A22,X,F10.8)') '            HILLS_W = ' , width
----------------------------------------------^
dynconstr.f90(1500): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
            write(g_io%REPORT,FMT='(3X,A22,X,F10.8)') '       HILLS_STRIDE = ',  hills%stride
----------------------------------------------^
dynconstr.f90(1507): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
              write(IO%IU6,FMT='(3X,A22,X,F10.8)') 'HILLS_ANDERSEN_PROB = ',  hills%andersen_prob
-------------------------------------------^
dynconstr.f90(1537): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
              write(g_io%REPORT,FMT='(3X,A22,X,F10.8)') 'HILLS_ANDERSEN_PROB = ',  hills%andersen_prob
------------------------------------------------^
dynconstr.f90(2181): error #6514: A substring must be of type CHARACTER.   [DIR_APP]
          OPEN(UNIT=g_io%STRUCTINPUT,FILE=DIR_APP(1:DIR_LEN)//'HILLSPOT',STATUS='UNKNOWN',POSITION='APPEND')
------------------------------------------^
compilation aborted for dynconstr.f90 (code 1)
make: *** [dynconstr.o] 错误 1[code]
*************************************
以下为MAKEFIE：
[list]

[*]null
[/list]

[code]
.SUFFIXES: .inc .f .f90 .F  
SUFFIX=.f90  
CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)  
FFLAGS =  -free  -assume byterecl -heap-arrays 64  
OFLAG=-O2 -xHost
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =  
OBJ_NOOPT =  
DEBUG = -free -O0
INLINE = $(OFLAG)
LINK    =   
FC=mpif90  
FCL=mpif90 -mkl   
CPP    = $(CPP_) -DMPI  -DHOST=\"LinuxIFC\" -DIFC -DPROFILING \
     -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf \
     -DMPI_BLOCK=8000  
#-DRPROMU_DGEMV  -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------  
LIB     = -L../vasp.5.lib -ldmy  \
      ../vasp.5.lib/linpack_double.o $(LAPACK) \
#      $(SCA) $(BLAS)  
# 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/intel/composer_xe_2013.2.146/mkl/interfaces/fftw3xf/libfftw3xf_intel.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  mgrid.o  xclib.o  vdw_nl.o  xclib_grad.o \
         radial.o   pseudo.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   Lebedev-Laikov.o  stockholder.o dipol.o    pot.o \
         dos.o      elf.o      tet.o      tetweight.o hamil_rot.o \
         steep.o bfgs.o dynmat.o  instanton.o  lbfgs.o sd.o   cg.o dimer.o bbm.o \
         fire.o lanczos.o neb.o  qm.o opt.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 dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o \
         hamil_high.o nmr.o    pead.o     mlwf.o     subrot.o   subrot_scf.o \
         force.o    pwlhf.o  gw_model.o optreal.o   davidson.o  david_inner.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_te.o bse.o acfdt.o chi.o sydmat.o dmft.o \
         rmm-diis_mlr.o  linear_response_NMR.o  

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)

2楼: Originally posted by abdoman at 2014-03-24 10:04:52
你openmpi 是用的ifort 编译的吗？
正确安装了吗？