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[求助]
qe 5.1 安裝出錯問題
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??λ??, ??C??????b 4.3.2 ?汾??]????}?? ?????????b 5.1 ?汾?r, ./configure ???????????? make all ???, ???f wrappers.f90 ?@?|??????} ???????????N??Q??? ???????? ??????????Y?? 1. make error message ======================================================================================= wrappers.f90(24): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] USE ISO_C_BINDING ------^ wrappers.f90(54): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] USE iso_c_binding ----------^ wrappers.f90(55): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char),INTENT(in) :: pathname(*) ---------------------^ wrappers.f90(56): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r --------------^ wrappers.f90(59): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] USE iso_c_binding ----------^ wrappers.f90(60): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char),INTENT(in) :: input(*) ---------------------^ wrappers.f90(61): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char),INTENT(in) :: output(*) ---------------------^ wrappers.f90(62): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r --------------^ wrappers.f90(65): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] USE iso_c_binding ----------^ wrappers.f90(66): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char),INTENT(in) :: filename(*) ---------------------^ wrappers.f90(67): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int),VALUE ,INTENT(in) :: mode --------------^ wrappers.f90(68): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r --------------^ wrappers.f90(71): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] USE iso_c_binding ----------^ wrappers.f90(72): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char),INTENT(in) :: filename(*) ---------------------^ wrappers.f90(73): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r --------------^ wrappers.f90(76): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ISO_C_BINDING] wrappers.f90(88): error #6683: A kind type parameter must be a compile-time constant. [C_CHAR] CHARACTER(kind=c_char) ,INTENT(out) :: buffer(*) ---------------------^ wrappers.f90(89): error #6683: A kind type parameter must be a compile-time constant. [C_SIZE_T] INTEGER(c_size_t),VALUE,INTENT(in) :: size --------------^ wrappers.f90(90): error #6457: This derived type name has not been declared. [C_PTR] TYPE(c_ptr) :: r -----------^ wrappers.f90(101): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r ------------^ wrappers.f90(113): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r ------------^ wrappers.f90(121): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: r ------------^ wrappers.f90(122): error #6683: A kind type parameter must be a compile-time constant. [C_INT] INTEGER(c_int) :: c_mode ------------^ /tmp/ifortFf2PKT.i90(271): catastrophic error: Too many errors, exiting compilation aborted for wrappers.f90 (code 1) make[1]: *** [wrappers.o] Error 1 make[1]: Leaving directory `/home/sch1/espresso-5.1/Modules' make: *** [mods] Error 1 ============================================================================================ 2. make.sys ============================================================================================ # make.sys. Generated from make.sys.in by configure. # compilation rules .SUFFIXES : .SUFFIXES : .o .c .f .f90 # most fortran compilers can directly preprocess c-like directives: use # $(MPIF90) $(F90FLAGS) -c $< # if explicit preprocessing by the C preprocessor is needed, use: # $(CPP) $(CPPFLAGS) $< -o $*.F90 # $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o # remember the tabulator in the first column !!! .f90.o: $(MPIF90) $(F90FLAGS) -c $< # .f.o and .c.o: do not modify .f.o: $(F77) $(FFLAGS) -c $< .c.o: $(CC) $(CFLAGS) -c $< # topdir for linking espresso libs with plugins TOPDIR = /home/sch1/espresso-5.1 # DFLAGS = precompilation options (possible arguments to -D and -U) # used by the C compiler and preprocessor # FDFLAGS = as DFLAGS, for the f90 compiler # See include/defs.h.README for a list of options and their meaning # With the exception of IBM xlf, FDFLAGS = $(DFLAGS) # For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas # MANUAL_DFLAGS = additional precompilation option(s), if desired # You may use this instead of tweaking DFLAGS and FDFLAGS # BEWARE: will not work for IBM xlf! Manually edit FDFLAGS MANUAL_DFLAGS = DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA $(MANUAL_DFLAGS) FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS) # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include IFLAGS = -I../include # MOD_FLAGS = flag used by f90 compiler to locate modules # Each Makefile defines the list of needed modules in MODFLAGS MOD_FLAG = -I # Compilers: fortran-90, fortran-77, C # If a parallel compilation is desired, MPIF90 should be a fortran-90 # compiler that produces executables for parallel execution using MPI # (such as for instance mpif90, mpf90, mpxlf90,...); # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) # If you have a parallel machine but no suitable candidate for MPIF90, # try to specify the directory containing "mpif.h" in IFLAGS # and to specify the location of MPI libraries in MPI_LIBS MPIF90 = mpif90 #F90 = ifort CC = icc F77 = ifort # C preprocessor and preprocessing flags - for explicit preprocessing, # if needed (see the compilation rules above) # preprocessing flags must include DFLAGS and IFLAGS CPP = cpp CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS) # compiler flags: C, F90, F77 # C flags must include DFLAGS and IFLAGS # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax CFLAGS = -O3 $(DFLAGS) $(IFLAGS) F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS) FFLAGS = -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback # compiler flag needed by some compilers when the main is not fortran # Currently used for Yambo FFLAGS_NOMAIN = -nofor_main # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD = mpif90 LDFLAGS = -static-intel LD_LIBS = # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy : # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a # BLAS_LIBS_SWITCH = internal BLAS_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core BLAS_LIBS_SWITCH = external # If you have nothing better, use the local copy : # LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a # LAPACK_LIBS_SWITCH = internal # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order LAPACK_LIBS = LAPACK_LIBS_SWITCH = external ELPA_LIBS_SWITCH = disabled SCALAPACK_LIBS = # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) FFT_LIBS = -lfftw3 # For parallel execution, the correct path to MPI libraries must # be specified in MPI_LIBS (except for IBM if you use mpxlf) MPI_LIBS = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS MASS_LIBS = # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv AR = ar ARFLAGS = ruv # ranlib command. If ranlib is not needed (it isn't in most cases) use # RANLIB = echo RANLIB = ranlib # all internal and external libraries - do not modify FLIB_TARGETS = all LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) # wget or curl - useful to download from network WGET = wget -O ================================================================================================= 3. configure -------------------------------------------------------------------- ESPRESSO can take advantage of several optimized numerical libraries (essl, fftw, mkl...). This configure script attempts to find them, but may fail if they have been installed in non-standard locations. If a required library is not found, the local copy will be compiled. The following libraries have been found: BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core LAPACK_LIBS= FFT_LIBS= -lfftw3 Please check if this is what you expect. If any libraries are missing, you may specify a list of directories to search and retry, as follows: ./configure LIBDIRS="list of directories, separated by spaces" Parallel environment detected successfully.\ Configured for compilation of parallel executables. For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex). -------------------------------------------------------------------- configure: success |
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