[Thermo_pw-forum] TR: Error when installing QE6.7

Andrea Dal Corso dalcorso at sissa.it
Wed Jun 30 16:35:33 CEST 2021 

This seems a problem in compiling QE on your system. Try to
compile QE first.

Andrea


On Sat, 2021-06-05 at 10:48 +0000, BENYAHIA NEZHA wrote:
> 
> ________________________________
> De : BENYAHIA NEZHA
> Envoyé : samedi 5 juin 2021 10:43
> À : thermo_pw-forum at lists.quantum-espresso.org <
> thermo_pw-forum at lists.quantum-espresso.org>
> Objet : Error when installing QE6.7
> 
> Dear Quantum espresso users,
> I'am trying to install the quantum-espresso 6.7 version on my Ubuntu
> distribution. While using ./configure command, every thing is ok, i
> receive this message at the end of the compilation
> 
> The following libraries have been found:
>   BLAS_LIBS= -lblas
>   LAPACK_LIBS=$(TOPDIR)/LAPACK/liblapack.a
>   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
> 
> however when entering the command make all, i receive this message at
> the end and no executable files were generated at the BIN library:
> 0 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-6.7//include
> -I/home/software/qe-6.7//FoX/finclude   -c fft_scalar.cuFFT.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_scalar.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_scatter.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_parallel.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_parallel_2d.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_smallbox.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_smallbox_type.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c fft_fwinv.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_interfaces.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_interpolate.f90
> cc -O3 -D__FFTW3 -D__MPI -I/home/software/qe-6.7//include
> -I/home/software/qe-6.7//FoX/finclude   -c fftw.c
> cc -O3 -D__FFTW3 -D__MPI -I/home/software/qe-6.7//include
> -I/home/software/qe-6.7//FoX/finclude   -c fftw_sp.c
> cc -O3 -D__FFTW3 -D__MPI -I/home/software/qe-6.7//include
> -I/home/software/qe-6.7//FoX/finclude   -c fftw_dp.c
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c fft_error.f90
> cc -O3 -D__FFTW3 -D__MPI -I/home/software/qe-6.7//include
> -I/home/software/qe-6.7//FoX/finclude   -c fft_stick.c
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c tg_gather.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> fft_helper_subroutines.f90
> ar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o
> fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o
> fft_scalar.ARM_LIB.o fft_scalar.DFTI.o fft_scalar.ESSL.o
> fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o
> fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o
> fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o
> fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o
> fft_error.o fft_stick.o fft_types.o tg_gather.o
> fft_helper_subroutines.o fft_param.o fft_buffers.o
> ar: creating libqefft.a
> a - scatter_mod.o
> a - fft_scatter_2d.o
> a - fft_scatter_gpu.o
> a - fft_scatter_2d_gpu.o
> a - fft_ggen.o
> a - fft_fwinv.o
> a - fft_scalar.o
> a - fft_scalar.ARM_LIB.o
> a - fft_scalar.DFTI.o
> a - fft_scalar.ESSL.o
> a - fft_scalar.FFTW.o
> a - fft_scatter.o
> a - fft_scalar.cuFFT.o
> a - fftw_interfaces.o
> a - fft_scalar.FFTW3.o
> a - fft_scalar.SX6.o
> a - fft_parallel.o
> a - fft_parallel_2d.o
> a - fft_interfaces.o
> a - fft_interpolate.o
> a - stick_base.o
> a - fftw.o
> a - fftw_sp.o
> a - fftw_dp.o
> a - fft_smallbox.o
> a - fft_smallbox_type.o
> a - fft_support.o
> a - fft_error.o
> a - fft_stick.o
> a - fft_types.o
> a - tg_gather.o
> a - fft_helper_subroutines.o
> a - fft_param.o
> a - fft_buffers.o
> ranlib libqefft.a
> make[1]: Leaving directory `/home/software/qe-6.7/FFTXlib'
> ( cd upflib ; make TLDEPS= all || exit 1 )
> make[1]: Entering directory `/home/software/qe-6.7/upflib'
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c upf_kinds.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c upf_const.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> radial_grids.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c atom.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c upf_utils.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> atomic_number.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c emend_upf.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c upf_erf.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> pseudo_types.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c
> upf_params.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c gth.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c read_cpmd.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c read_fhi.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c read_ncpp.f90
> mpif90 -O3 -g -cpp -D__FFTW3 -D__MPI   -I/home/software/qe-
> 6.7//include -I/home/software/qe-6.7//FoX/finclude   -c xmltools.f90
> xmltools.f90:852.18:
> 
>        cp = c_loc(zmat)
>                   1
> Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the
> procedure 'c_loc' because it is not C interoperable
> xmltools.f90:826.18:
> 
>        cp = c_loc(zvec)
>                   1
> Error: Assumed-shape array 'zvec' at (1) cannot be an argument to the
> procedure 'c_loc' because it is not C interoperable
> xmltools.f90:511.15:
> 
>     cp = c_loc(zmat)
>                1
> Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the
> procedure 'c_loc' because it is not C interoperable
> xmltools.f90:487.15:
> 
>     cp = c_loc(zvec)
>                1
> Error: Assumed-shape array 'zvec' at (1) cannot be an argument to the
> procedure 'c_loc' because it is not C interoperable
> make[1]: *** [xmltools.o] Error 1
> make[1]: Leaving directory `/home/software/qe-6.7/upflib'
> make: *** [libupf] Error 1
> 
> 
> 
> 
> 
> please help me to fix this problem.
> 
> 
> 
> 
> NEZHA BENYAHIA,
> PHD STUDENT,
> Faculty of ELECTRONIC,
> LEPMF LABORATORY USTOMB,
> ORAN, ALGERIA
> 
> E-Mail: benyahia-nezha at hotmail.fr
> 
> 
> 
> _______________________________________________
> Thermo_pw-forum mailing list
> Thermo_pw-forum at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/thermo_pw-forum
-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it

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