[QE-users] compilation errors @ QE 6.8 version

[venky ch]

Dear Prof. Paolo,

Thanks for your reply. Again, I did with the "mpiifort" which uses ifort
compiler. The error persists the same as previous.

thanks

venkatesh


======

mpiifort -static-intel -o pw.x \
           pwscf.o  libpw.a ../../Modules/libqemod.a
../../KS_Solvers/libks_solvers.a ../../FFTXlib/libqefft.a
../../LAXlib/libqela.a ../../UtilXlib/libutil.a ../../dft-d3/libdftd3qe.a
/home/proj/21/isuch/soft/QE/q-e-qe-6.4/clib/clib.a
 /home/proj/21/isuch/soft/QE/q-e-qe-6.4/iotk/src/libiotk.a
 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_scalapack_lp64
-lmkl_blacs_intelmpi_lp64
-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_lapack95_lp64
-lpthread  -L/home/proj/21/isuch/soft/QE/q-e-qe-6.4/FoX/lib  -lFoX_dom
-lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys
 -L/home/proj/21/isuch/soft/fftw/lib -lfftw3
 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_intel_lp64
 -lmkl_sequential -lmkl_core -L/opt/intel/impi/4.1.0.024/intel64/lib -lmpi
   -L/home/proj/21/isuch/soft/libxc_install/lib/ -lxcf90 -lxc
../../Modules/libqemod.a(functionals.o): In function `slater':
/home/proj/21/isuch/soft/QE/q-e-qe-6.4/Modules/functionals.f90:31:
undefined reference to `xc_f90_func_init_'
/home/proj/21/isuch/soft/QE/q-e-qe-6.4/Modules/functionals.f90:32:
undefined reference to `xc_f90_lda_exc_vxc_'
/home/proj/21/isuch/soft/QE/q-e-qe-6.4/Modules/functionals.f90:33:
undefined reference to `xc_f90_func_end_'
../../Modules/libqemod.a(functionals.o): In function `pz':


===========

On Sat, Jul 31, 2021 at 12:30 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> On Fri, Jul 30, 2021 at 9:40 PM venky ch <chvenkateshphy at gmail.com> wrote:
>
>>
>> I have given a search on the internet and found that it is related to the
>> old version of gfortran used here. But this line is compiled using mpif90
>>
>
> your mpif90 is using gfortran to compile. The error message has the form
> of a gfortran error, not of an ifort error. It's a problem of the software
> in your computer, not of QE
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
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