Dear All I want to install QUANTUM ESPRESSO v.3.0. Actually this version gives smoothness in Band structure as compared to any other version. It compiles well on fedora 8 with g95 compiler but gives following error. Any one would help me about it. ERRORS ARE GIVEN BELOW
THIS IS OUTPUT AFTER COMPILATION [zafar at localhost espresso-3.0]$ ./configure checking build system type... i686-pc-linux-gnu checking architecture... linux32 checking for mpif90... mpif90 checking for Fortran 77 compiler default output... a.out checking whether the Fortran 77 compiler works... yes checking whether we are cross compiling... yes checking for suffix of executables... checking for suffix of object files... o checking whether we are using the GNU Fortran 77 compiler... yes checking whether mpif90 accepts -g... yes checking version of mpif90... unknown checking for ifort... no checking for ifc... no checking for pgf90... no checking for g95... g95 checking whether we are using the GNU Fortran 77 compiler... yes checking whether g95 accepts -g... yes setting F90... g95 setting MPIF90... mpif90 checking for mpicc... mpicc checking whether we are using the GNU C compiler... yes checking whether mpicc accepts -g... yes checking for mpicc option to accept ANSI C... none needed checking for mpif77... mpif77 checking whether we are using the GNU Fortran 77 compiler... yes checking whether mpif77 accepts -g... yes checking for gcc... gcc checking whether we are using the GNU C compiler... yes checking whether gcc accepts -g... yes checking for gcc option to accept ANSI C... (cached) none needed setting CC... gcc setting MPICC... mpicc checking for g95... g95 checking whether we are using the GNU Fortran 77 compiler... yes checking whether g95 accepts -g... yes setting F77... g95 setting MPIF77... mpif77 setting FFLAGS... -O3 -cpp setting F90FLAGS... $(FFLAGS) setting FFLAGS_NOOPT... -O0 -cpp setting F90FLAGS_NOOPT... $(FFLAGS_NOOPT) setting CFLAGS... -O3 -fomit-frame-pointer checking how to run the C preprocessor... gcc -E setting CPP... cpp setting CPPFLAGS... -P -traditional setting LD... mpif90 setting LDFLAGS... setting AR... ar setting ARFLAGS... ruv checking whether make sets $(MAKE)... yes checking whether Fortran files must be preprocessed... no checking for library containing dgemm... no in /opt/intel/mkl/8.0/lib/32: checking for library containing dgemm... no in /opt/intel/mkl721/lib/32: checking for library containing dgemm... no in /opt/intel/mkl72/lib/32: checking for library containing dgemm... no in /opt/intel/mkl701/lib/32: checking for library containing dgemm... no in /opt/intel/mkl70/lib/32: checking for library containing dgemm... no in /opt/intel/mkl/mkl61/lib/32: checking for library containing dgemm... no in /opt/intel/mkl/lib/32: checking for library containing dgemm... no in /opt/intel/mkl61/lib/32: checking for library containing dgemm... no in /cineca/prod/intel/lib: checking for library containing dgemm... no checking for library containing dgemm... no in /usr/local/lib: checking for library containing dgemm... no in /cineca/prod/gnu/lib: checking for library containing dgemm... no checking for library containing dgemm... no in /usr/local/lib: checking for library containing dgemm... no in /cineca/prod/gnu/lib: checking for library containing dgemm... no setting BLAS_LIBS... checking for library containing zggev... no in /usr/local/lib: checking for library containing zggev... no in /cineca/prod/gnu/lib: checking for library containing zggev... no setting LAPACK_LIBS... checking for library containing fftwnd... no in /usr/local/lib: checking for library containing fftwnd... no in /cineca/prod/gnu/lib: checking for library containing fftwnd... no setting FFT_LIBS... setting MASS_LIBS... checking for library containing mpi_init... none required setting MPI_LIBS... checking for library containing zggev... (cached) no checking for library containing dgemm... (cached) no checking for library containing vexp... no checking for library containing fftwnd... (cached) no checking for library containing mpi_init... (cached) none required setting DFLAGS... -D__LINUX -D__G95 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA setting FDFLAGS... $(DFLAGS) setting RANLIB... echo setting MYLIB... blas_and_lapack checking dependencies... directory Modules : ok directory clib : ok directory PW : ok directory CPV : ok directory flib : ok directory pwtools : ok directory upftools : ok directory PP : ok directory PWCOND : ok directory Gamma : ok directory PH : ok directory D3 : ok directory atomic : ok directory Nmr : ok all dependencies updated successfully configure: creating ./config.status config.status: creating make.sys config.status: creating configure.msg -------------------------------------------------------------------- ESPRESSO can take advantage of several optimized numerical libraries (essl, fftw, mkl...).? This configure script attempts to find them, but may fail if they have been installed in non-standard locations. The following libraries have been found: ? BLAS_LIBS= ? LAPACK_LIBS= ? FFT_LIBS= Please check if that is correct. If any libraries are missing, you may specify a list of directories to search and retry, as follows: ? ./configure LIBDIRS="list of directories, separated by spaces" Parallel environment detected successfully. Configured for compilation of parallel executables. For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex). THIS IS OUTPUT AFTER MAKE ALL COMMAND [zafar at localhost espresso-3.0]$ make all test -d bin || mkdir bin if test -d iotk ; then \ ??????? ( cd iotk ; if test "make" = "" ; then make? TLDEPS= libiotk.a ; \ ??????? else make? TLDEPS= libiotk.a ; fi ) ; fi make[1]: Entering directory `/home/zafar/espresso-3.0/iotk' cd src ; make libiotk.a make[2]: Entering directory `/home/zafar/espresso-3.0/iotk/src' mpif90 -O3 -cpp -D__LINUX -D__G95 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA -I../include? -I. -I../Modules -I../PW -I../PH -I../iotk/src -c iotk_base.f90 gfortran: unrecognized option '-cpp' Warning: iotk_base.spp:20: Illegal preprocessor directive Warning: iotk_base.spp:30: Illegal preprocessor directive ?In file iotk_base.spp:55 character, parameter :: iotk_newline = __IOTK_NEWLINE ???????????????????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:56 character, parameter :: iotk_eos???? = __IOTK_EOS ???????????????????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:79 integer, parameter :: iotk_header_kind = __IOTK_HEADER_KIND ?????????????????????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:86 integer :: iotk_unitmin = __IOTK_UNITMIN ??????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:87 integer :: iotk_unitmax = __IOTK_UNITMAX ??????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:88 integer :: iotk_error_unit = __IOTK_ERROR_UNIT ?????????????????????????? 1 Error: Expected an initialization expression at (1) ?In file iotk_base.spp:143 integer, parameter :: iotk_maxrank????? = __IOTK_MAXRANK ! Controlled by cpp ??????????????????????????????????????? 1 Error: Expected an initialization expression at (1) make[2]: *** [iotk_base.o] Error 1 make[2]: Leaving directory `/home/zafar/espresso-3.0/iotk/src' make[1]: *** [libiotk.a] Error 2 make[1]: Leaving directory `/home/zafar/espresso-3.0/iotk' make: *** [libiotk] Error 2 MAKE.SYS FILE IS GIVEN BELOW # make.sys.? Generated from make.sys.in by configure. # compilation rules .SUFFIXES : .SUFFIXES : .o .c .f .f90 .f90.o: ??? $(MPIF90) $(F90FLAGS) -c $< .f.o: ??? $(F77) $(FFLAGS) -c $< .c.o: ??? $(CC) $(CFLAGS) -c $< CC???????????? = gcc MPICC????????? = mpicc CFLAGS???????? = -O3 -fomit-frame-pointer $(DFLAGS) $(IFLAGS) CPP??????????? = cpp CPPFLAGS?????? = -P -traditional $(DFLAGS) $(IFLAGS) F90??????????? = g95 MPIF90???????? = mpif90 F90FLAGS?????? = $(FFLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS) F90FLAGS_NOOPT = $(FFLAGS_NOOPT) $(FDFLAGS) $(IFLAGS) $(MODFLAGS) F77??????????? = g95 MPIF77???????? = mpif77 FFLAGS???????? = -O3 -cpp FFLAGS_NOOPT?? = -O0 -cpp LD???????????? = mpif90 LDFLAGS??????? = AR???????????? = ar ARFLAGS??????? = ruv RANLIB???????? = echo BLAS_LIBS????? = LAPACK_LIBS??? = FFT_LIBS?????? = MPI_LIBS?????? = MASS_LIBS????? = # ----------------------------- # application-specific settings # See include/defs.h.README for a list of precompilation options # (possible arguments to -D or -U) and their meaning DFLAGS???????? = -D__LINUX -D__G95 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA FDFLAGS??????? = $(DFLAGS) IFLAGS???????? = -I../include MODFLAGS?????? = -I. -I../Modules -I../PW -I../PH -I../iotk/src LIBOBJS??????? = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a # LIBS must contain the location of all needed external libraries LIBS?????????? = $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) # MYLIB can be one of the following (depending on LIBS): # blas?????? : compile the local copy of blas routines # lapack???? : compile the local copy of lapack routines # blas_and_lapack : all of the above - use this for a quick test #????????????? or if you don't have an optimized blas/lapack library # lapack_ibm : compile only lapack routines not present in IBM ESSL #????????????? use this together with IBM ESSL # lapack_t3e : compile only lapack routines not present in T3E scilib #????????????? use this together with T3E scilib # lapack_mkl : compile only lapack routines not present in Intel MKL #????????????? use this together with Intel MKL MYLIB????????? = blas_and_lapack BEST REGARDS Muhammad Zafar PhD Scholar Department of Physics The Islamia University of Bahawalpur,Pakistan -------------- next part -------------- An HTML attachment was scrubbed... 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