Dear QE users, I forgot to send you the make.inc file related to this error. kindly find the attached one.
The configuration was done using this command as given below. "./configure FC=ifort F77=ifort MPICC=mpiicc MPIF90=mpiifort CC=icc --with-scalapack=intelmpi" thanks venkatesh On Sat, Jul 31, 2021 at 1:10 AM venky ch <chvenkatesh...@gmail.com> wrote: > > 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': > > > ============ > > > >
make.inc
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