Many many thanks sir for your kind reply, I will tell to our hpc system administrator to change or install to latest gfortran compiler. Thanks.
On Fri, Oct 23, 2015 at 10:25 PM, Venkataramana Imandi < [email protected]> wrote: > > Dear QE users, > > I am compiling QE (version:5.1.2) in the high performance computing (hpc) > using gfortran compiler. In the beginning, I did "./configure", the output > is showing like as follows. > > checking build system type... x86_64-unknown-linux-gnu > detected architecture... x86_64 > checking for ifort... no > checking for pgf90... no > checking for pathf95... no > checking for sunf95... no > checking for openf95... no > checking for gfortran... gfortran > configure: WARNING: using cross tools not prefixed with host triplet > checking for Fortran compiler default output file name... a.out > checking whether the Fortran 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 compiler... yes > checking whether gfortran accepts -g... yes > checking for Fortran flag to compile .f90 files... none > checking for mpif90... mpif90 > checking whether we are using the GNU Fortran compiler... yes > checking whether mpif90 accepts -g... yes > checking version of mpif90... gfortran 4.1.2 > setting F90... gfortran > setting MPIF90... mpif90 > checking for cc... cc > checking whether we are using the GNU C compiler... yes > checking whether cc accepts -g... yes > checking for cc option to accept ISO C89... none needed > setting CC... cc > checking how to run the C preprocessor... cc -E > checking for grep that handles long lines and -e... /bin/grep > checking for egrep... /bin/grep -E > checking for ANSI C header files... yes > checking for sys/types.h... yes > checking for sys/stat.h... yes > checking for stdlib.h... yes > checking for string.h... yes > checking for memory.h... yes > checking for strings.h... yes > checking for inttypes.h... yes > checking for stdint.h... yes > checking for unistd.h... yes > checking size of int *... 8 > checking malloc.h usability... yes > checking malloc.h presence... yes > checking for malloc.h... yes > checking for struct mallinfo.arena... yes > checking for gfortran... gfortran > checking whether we are using the GNU Fortran 77 compiler... yes > checking whether gfortran accepts -g... yes > setting F77... gfortran > using F90... gfortran > setting FFLAGS... -O3 -g > setting F90FLAGS... $(FFLAGS) -x f95-cpp-input > setting FFLAGS_NOOPT... -O0 -g > setting CFLAGS... -O3 > setting CPP... cpp > setting CPPFLAGS... -P -C -traditional > setting LD... mpif90 > setting LDFLAGS... -g -pthread > setting AR... ar > setting ARFLAGS... ruv > checking whether make sets $(MAKE)... yes > checking whether Fortran files must be preprocessed... no > checking how to get verbose linking output from gfortran... -v > checking for Fortran 77 libraries of gfortran... > -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2 > -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64 -L/lib/../lib64 > -L/usr/lib/../lib64 -lgfortranbegin -lgfortran -lm > checking for dummy main to link with Fortran 77 libraries... none > checking for Fortran 77 name-mangling scheme... lower case, underscore, no > extra underscore > checking for library containing dgemm... no > MKL not found > in /opt/intel/composer*/mkl/lib/intel64: checking for library containing > dgemm... no > MKL not found > in /opt/intel/Compiler/11.1/073/mkl/lib/em64t: checking for library > containing dgemm... -lmkl_gf_lp64 > checking for library containing dspev... none required > setting BLAS_LIBS... -L/opt/intel/Compiler/11.1/073/mkl/lib/em64t > -lmkl_gf_lp64 -lmkl_sequential -lmkl_core > setting LAPACK_LIBS... > checking for library containing dfftw_execute_dft... -lfftw3 > setting FFT_LIBS... -lfftw3 > setting MASS_LIBS... > checking for library containing mpi_init... none required > setting MPI_LIBS... > checking for library containing mpi_init... (cached) none required > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... -lmkl_scalapack_lp64 > setting SCALAPACK_LIBS... -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 > setting DFLAGS... -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__MPI -D__PARA > -D__SCALAPACK > setting IFLAGS... -I../include > setting FDFLAGS... $(DFLAGS) > checking for ranlib... ranlib > setting RANLIB... ranlib > checking for wget... wget -O > setting WGET... wget -O > configure: creating ./config.status > config.status: creating include/fft_defs.h > config.status: creating make.sys > config.status: creating configure.msg > config.status: creating install/make_wannier90.sys > config.status: creating install/make_blas.inc > config.status: creating install/make_lapack.inc > config.status: creating include/c_defs.h > config.status: include/c_defs.h is unchanged > -------------------------------------------------------------------- > 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=-L/opt/intel/Compiler/11.1/073/mkl/lib/em64t -lmkl_gf_lp64 > -lmkl_sequential -lmkl_core > LAPACK_LIBS= > SCALAPACK_LIBS=-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 > 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 > > After that, I did "make all", the output is showing like as follows (some > of the lines are shown here). > > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1952 > > CALL inter_plane_line(x0, vect, bz_struc%normal(:,ifaces), xi) > 1 > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1958 > > ENDIF > 1 > Error: Expecting END DO statement at (1) > In file bz_form.f90:1966 > > IF (ABS(bz_struc%normal(2,ifaces)) > 1.d-9) THEN > 1 > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1967 > > CALL inter_plane_line(x0, vect, bz_struc%normal(:,ifaces), xi) > 1 > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1973 > > ENDIF > 1 > Error: Expecting END DO statement at (1) > In file bz_form.f90:1981 > > IF (ABS(bz_struc%normal(3,ifaces)) > 1.d-9) THEN > 1 > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1982 > > CALL inter_plane_line(x0, vect, bz_struc%normal(:,ifaces), xi) > 1 > Error: 'normal' at (1) is not a member of the 'bz' structure > In file bz_form.f90:1988 > > ENDIF > 1 > Error: Expecting END DO statement at (1) > make[1]: *** [bz_form.o] Error 1 > make[1]: Leaving directory > `/home/abhijit/venkat1/soft1/espresso-5.1.2/Modules' > make: *** [mods] Error 1 > > > I check all available sources in the entire day, however, I am unable to > trace out the problem. > I am completely unaware of this problem. Please suggest me what to do and > come out of this problem. Any suggestions are welcome. > > > venkataramana > PhD student > IIT Bombay > -- venkataramana
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