[Pw_forum] compilation error

Venkataramana Imandi venkataramana.imandi at gmail.com
Fri Oct 23 18:55:54 CEST 2015 

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
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