<div dir="ltr"><div><div><div><div><div>Hello Aldo,<br></div>if you start with just<br></div>./configure MPIF90=mpiifort<br></div>(check the number of "i")<br>does it detect the parallel environment properly?<br><br></div>Anyway, if you want bit of some usefull advice you should provide your config.log<br><br></div>hth<br><div><div><br><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 20 July 2017 at 12:20, Aldo Ugolotti <span dir="ltr"><<a href="mailto:a.ugolotti@campus.unimib.it" target="_blank">a.ugolotti@campus.unimib.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear QE users,<br>
<br>
I am having troubles in correctly defining the building environment for<br>
QE (6.0) in order to tell it to use the already compiled external<br>
libraries BLAS, BLACS, LAPACK, SCALAPACK, HDF5, FFTW, OPENMPI.<br>
<br>
Beforehand I have to say that all libraries paths are set into PATH and<br>
LD_LIBRARY_PATH environment variables.<br>
<br>
If I give the line below I get configure to success, but the lapack<br>
libraries are set to internal and no hdf5 or scalapack, nor mpi folders<br>
are reported in conf.log (however the parallel environment is detected):<br>
<br>
./configure --prefix=/opt/espresso-6.0_<wbr>openmpi-2.0.1_gnu_extlibs<br>
--enable-shared --enable-parallel --with-netlib=yes --with-scalapack=yes<br>
--with-hdf5=/opt/hdf5-1.10.1/ MPI90=mpifort LIBS="-L/opt/fft3-3.3.6/lib<br>
-L/opt/hdf5-1.10.1/lib -L/opt/lapack-3.7.0_gnu/ -llapack -lrefblas<br>
-L/opt/scalapack-2.0.2-ompi-2.<wbr>0.1_gnu -lscalapack<br>
-L/opt/mpiblacs/BLACS/LIB/ -lblacs -lblacsF77init<br>
-L/opt/netcdf-4.4.1.1/<wbr>installed/lib -lnetcdf<br>
-L/opt/netcdf-fortran-4.4.4/<wbr>lib -lnetcdff -L/opt/zlib-1.2.11/lib"<br>
IFLAGS="-I/opt/fft3-3.3.6/<wbr>include -I/opt/hdf5-1.10.1/include<br>
-I/opt/netcdf-4.4.1.1/<wbr>installed/include<br>
-I/opt/netcdf-fortran-4.4.4/<wbr>include -I/opt/zlib-1.2.11/include"<br>
<br>
I have the same problem if I specify CPPFLAGS instead of IFLAGS and<br>
LDFLAGS instead of LIBS.<br>
<br>
If I try to directly export the variable I find in the make.inc instead<br>
with the line below the option are not recognized and even the parallel<br>
environment is not detected:<br>
<br>
./configure --prefix=/opt/espresso-6.0_<wbr>openmpi-2.0.1_gnu_extlibs<br>
--enable-shared --enable-parallel --with-netlib=yes --with-scalapack=yes<br>
--with-hdf5=/opt/hdf5-1.10.1/ MPI90=mpifort<br>
IFLAGS="-I/opt/fft3-3.3.6/<wbr>include -I/opt/hdf5-1.10.1/include<br>
-I/opt/netcdf-4.4.1.1/<wbr>installed/include<br>
-I/opt/netcdf-fortran-4.4.4/<wbr>include -I/opt/zlib-1.2.11/include"<br>
BLAS_LIBS="-L/opt/lapack-3.7.<wbr>0_gnu -lrefblas"<br>
BLAS_LIBS_SWITCH="external" LAPACK_LIBS="-L/opt/lapack-3.<wbr>7.0_gnu<br>
-llapack -lrefblas" LAPACK_LIBS_SWITCH="external"<br>
SCALAPACK_LIBS="-L/opt/<wbr>scalapack-2.0.2-ompi-2.0.1_gnu -lscalapack"<br>
FFT_LIBS="-L/opt/fft3-3.3.6/<wbr>lib -lfftw3"<br>
HDF5_LIB="-L/opt/hdf5-1.10.1/<wbr>lib -lhdf5 -lhdf5_fortran -lhdf5_hl<br>
-lhdf5hl_fortran" MPI_LIBS="-L/opt/openmpi-2.0.<wbr>1_gnu/lib -lmpi<br>
-lmpi_mpifh -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lompitrace<br>
-lopen-pal -lopen-rte -loshmem"<br>
<br>
Can you help me understand what I am missing here, please?<br>
<br>
Thanks, regards<br>
<br>
--<br>
Aldo Ugolotti<br>
<br>
Ph. D. student<br>
Department of Materials Science,<br>
University of Milano-Bicocca,<br>
U5, Via R. Cozzi 55,<br>
20125 Milano, Italy.<br>
email: <a href="mailto:a.ugolotti@campus.unimib.it">a.ugolotti@campus.unimib.it</a><br>
<br>
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</blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div>Dr. Lorenzo Paulatto </div><div>IdR @ IMPMC -- CNRS & Université Paris 6</div><div>phone: +33 (0)1 442 79822 / skype: paulatz</div><div>www: <a href="http://www-int.impmc.upmc.fr/~paulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a></div><div>mail: 23-24/421 Boîte courrier 115, 4 place Jussieu 75252 Paris CX 05</div></div></div></div></div></div>
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