[QE-users] pw.x Error for QE6.4

venky ch chvenkateshphy at gmail.com
Fri Jul 30 21:40:22 CEST 2021


Hi everyone, I tried to install QE 6.4 and got an error message while
running pw.x with mpiifort as given below. Kindly help me to resolve the
issue.

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
 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
 -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  -lmkl_intel_lp64
 -lmkl_sequential -lmkl_core -L/opt/intel/impi/4.1.0.024/intel64/lib
-L/home/proj/21/isuch/soft/libxc_install/lib/ -lxcf90 -lxc
../../Modules/libqemod.a(functionals.o): In function `slater':


../../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':


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