[Pw_forum] Properly instructing ./configure to locate external libraries

[Lorenzo Paulatto]

Hello Aldo,
if you start with just
./configure MPIF90=mpiifort
(check the number of "i")
does it detect the parallel environment properly?

Anyway, if you want bit of some usefull advice you should provide your
config.log

hth



On 20 July 2017 at 12:20, Aldo Ugolotti <a.ugolotti at campus.unimib.it> wrote:

> Dear QE users,
>
> I am having troubles in correctly defining the building environment for
> QE (6.0) in order to tell it to use the already compiled external
> libraries BLAS, BLACS, LAPACK, SCALAPACK, HDF5, FFTW, OPENMPI.
>
> Beforehand I have to say that all libraries paths are set into PATH and
> LD_LIBRARY_PATH environment variables.
>
> If I give the line below I get configure to success, but the lapack
> libraries are set to internal and no hdf5 or scalapack, nor mpi folders
> are reported in conf.log (however the parallel environment is detected):
>
> ./configure --prefix=/opt/espresso-6.0_openmpi-2.0.1_gnu_extlibs
> --enable-shared --enable-parallel --with-netlib=yes --with-scalapack=yes
> --with-hdf5=/opt/hdf5-1.10.1/ MPI90=mpifort LIBS="-L/opt/fft3-3.3.6/lib
> -L/opt/hdf5-1.10.1/lib -L/opt/lapack-3.7.0_gnu/ -llapack -lrefblas
> -L/opt/scalapack-2.0.2-ompi-2.0.1_gnu -lscalapack
> -L/opt/mpiblacs/BLACS/LIB/ -lblacs -lblacsF77init
> -L/opt/netcdf-4.4.1.1/installed/lib -lnetcdf
> -L/opt/netcdf-fortran-4.4.4/lib -lnetcdff -L/opt/zlib-1.2.11/lib"
> IFLAGS="-I/opt/fft3-3.3.6/include -I/opt/hdf5-1.10.1/include
> -I/opt/netcdf-4.4.1.1/installed/include
> -I/opt/netcdf-fortran-4.4.4/include -I/opt/zlib-1.2.11/include"
>
> I have the same problem if I specify CPPFLAGS instead of IFLAGS and
> LDFLAGS instead of LIBS.
>
> If I try to directly export the variable I find in the make.inc instead
> with the line below the option are not recognized and even the parallel
> environment is not detected:
>
> ./configure --prefix=/opt/espresso-6.0_openmpi-2.0.1_gnu_extlibs
> --enable-shared --enable-parallel --with-netlib=yes --with-scalapack=yes
> --with-hdf5=/opt/hdf5-1.10.1/ MPI90=mpifort
> IFLAGS="-I/opt/fft3-3.3.6/include -I/opt/hdf5-1.10.1/include
> -I/opt/netcdf-4.4.1.1/installed/include
> -I/opt/netcdf-fortran-4.4.4/include -I/opt/zlib-1.2.11/include"
> BLAS_LIBS="-L/opt/lapack-3.7.0_gnu -lrefblas"
> BLAS_LIBS_SWITCH="external" LAPACK_LIBS="-L/opt/lapack-3.7.0_gnu
> -llapack -lrefblas" LAPACK_LIBS_SWITCH="external"
> SCALAPACK_LIBS="-L/opt/scalapack-2.0.2-ompi-2.0.1_gnu -lscalapack"
> FFT_LIBS="-L/opt/fft3-3.3.6/lib -lfftw3"
> HDF5_LIB="-L/opt/hdf5-1.10.1/lib -lhdf5 -lhdf5_fortran -lhdf5_hl
> -lhdf5hl_fortran" MPI_LIBS="-L/opt/openmpi-2.0.1_gnu/lib -lmpi
> -lmpi_mpifh -lmpi_usempif08 -lmpi_usempi_ignore_tkr  -lompitrace
> -lopen-pal -lopen-rte -loshmem"
>
> Can you help me understand what I am missing here, please?
>
> Thanks, regards
>
> --
> Aldo Ugolotti
>
> Ph. D. student
> Department of Materials Science,
> University of Milano-Bicocca,
> U5, Via R. Cozzi 55,
> 20125 Milano, Italy.
> email: a.ugolotti at campus.unimib.it
>
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>



-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/421 Boîte courrier 115, 4 place Jussieu 75252 Paris CX 05
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