[Pw_forum] how to install QE linking with libxc

plgong plgong at theory.issp.ac.cn
Sun Apr 5 15:03:00 CEST 2015


Dear professor,
    I want to use libxc linked to QE5.1.2, but in failed. I have done this,
"Compile with -D__LIBXC, link with libxc: -L/dir/where/libxc/is -lxcf90 -lxc", but the problem come up.
Please help me to install QE linking with libxc.

Error like,
           pwscf.o  libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a  /home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/lapack-3.2/lapack.a  /home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/BLAS/blas.a   
../../flib/flib.a(functionals.o): In function `pw_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:374: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:375: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:376: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(functionals.o): In function `slater_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:31: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:32: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:33: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(functionals.o): In function `pz_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:169: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:170: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:171: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(functionals.o): In function `pw_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:374: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:375: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:376: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(functionals.o): In function `pbex_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1011: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1012: undefined reference to `xc_f90_gga_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1013: undefined reference to `xc_f90_func_end_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1016: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1017: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1018: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(functionals.o): In function `pbec_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1222: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1223: undefined reference to `xc_f90_gga_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1224: undefined reference to `xc_f90_func_end_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1226: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1227: undefined reference to `xc_f90_lda_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/functionals.f90:1228: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(metagga.o): In function `tpsscxc_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:57: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:59: undefined reference to `xc_f90_mgga_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:60: undefined reference to `xc_f90_func_end_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:68: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:70: undefined reference to `xc_f90_mgga_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:71: undefined reference to `xc_f90_func_end_'
../../flib/flib.a(metagga.o): In function `tb09cxc_':
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1415: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1417: undefined reference to `xc_f90_mgga_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1418: undefined reference to `xc_f90_func_end_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1428: undefined reference to `xc_f90_func_init_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1430: undefined reference to `xc_f90_mgga_exc_vxc_'
/home/plgong/Soft/Package/ESPRESSO_TAR_GZ/espresso-5.1.2/flib/metagga.f90:1431: undefined reference to `xc_f90_func_end_'
collect2: ld returned 1 exit status

Best wishes
PL Gong



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