[Pw_forum] compilation error

Fri Oct 23 19:13:56 CEST 2015

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 <
venkataramana.imandi at gmail.com> 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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