[QE-users] compiling qe_6.6

[Paolo Giannozzi]

Please see https://gitlab.com/QEF/q-e/-/issues/214

On Tue, Sep 29, 2020 at 12:20 PM Mohammad Moaddeli <
mohammad.moaddeli at gmail.com> wrote:

> Dear all,
>
> I am trying to compile qe_6.6 using the following config:
>
> ./configure FC=mpif90 CC=mpicc
>
> make.inc file contains:
>
> DFLAGS         =  -D__FFTW -D__MPI -Duse_beef
>
> MPIF90         = mpif90  # --> from apt install mpich
> F90           = gfortran
> CC             = mpicc
> F77            = gfortran
>
> However, I got the following error for "make pp":
> -------------------------------------------------------------------
> .
> .
> .
> make[2]: Entering directory '/home/mohammad/Downloads/qe-6.6/PW/src'
> make[2]: 'libpw.a' is up to date.
> make[2]: Leaving directory '/home/mohammad/Downloads/qe-6.6/PW/src'
> make[1]: Leaving directory '/home/mohammad/Downloads/qe-6.6/PW'
> if test -d PP ; then \
> ( cd PP ; make TLDEPS= all || exit 1 ) ; fi
> make[1]: Entering directory '/home/mohammad/Downloads/qe-6.6/PP'
> if test -d src ; then \
> ( cd src ; make || exit 1 ) ; fi
> make[2]: Entering directory '/home/mohammad/Downloads/qe-6.6/PP/src'
> if test -n "" ; then \
> ( cd ../.. ; make  || exit 1 ) ; fi
> mpif90 -g -o average.x \
> average.o libpp.a ../../PW/src/libpw.a ../../Modules/libqemod.a
> ../../upflib/libupf.a ../../KS_Solvers/libks_solvers.a
> ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a
> ../../dft-d3/libdftd3qe.a /home/mohammad/Downloads/qe-6.6//clib/clib.a
>  /home/mohammad/Downloads/qe-6.6//iotk/src/libiotk.a
> /home/mohammad/Downloads/qe-6.6//LAPACK/liblapack.a
> -L/home/mohammad/Downloads/qe-6.6//FoX/lib  -lFoX_dom -lFoX_sax -lFoX_wxml
> -lFoX_common -lFoX_utils -lFoX_fsys
> /home/mohammad/Downloads/qe-6.6//LAPACK/libblas.a
>  /home/mohammad/Downloads/qe-6.6//LIBBEEF/libbeef.a
> /home/mohammad/Downloads/qe-6.6//LIBBEEF/libbeef.a(beefun.o): In function
> `beefx_':
> beefun.c:(.text+0x71c5): undefined reference to `ddot_'
> beefun.c:(.text+0x71f3): undefined reference to `ddot_'
> beefun.c:(.text+0x72a3): undefined reference to `ddot_'
> /home/mohammad/Downloads/qe-6.6//LIBBEEF/libbeef.a(beefun.o): In function
> `beefxpot_':
> beefun.c:(.text+0x79a3): undefined reference to `ddot_'
> beefun.c:(.text+0x79f2): undefined reference to `ddot_'
> /home/mohammad/Downloads/qe-6.6//LIBBEEF/libbeef.a(beefun.o):beefun.c:(.text+0x8224):
> more undefined references to `ddot_' follow
> collect2: error: ld returned 1 exit status
> Makefile:85: recipe for target 'average.x' failed
> make[2]: *** [average.x] Error 1
> make[2]: Leaving directory '/home/mohammad/Downloads/qe-6.6/PP/src'
> Makefile:7: recipe for target 'all' failed
> make[1]: *** [all] Error 1
> make[1]: Leaving directory '/home/mohammad/Downloads/qe-6.6/PP'
> Makefile:97: recipe for target 'pp' failed
> make: *** [pp] Error 1
> -------------------------------------------------------------------
>
> Any help will be greatly appreciated.
>
>
> Mohammad Moaddeli
> Department of Materials Science and Engineering, School of Engineering,
> Shiraz University
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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