On Sun, Apr 5, 2015 at 9:03 AM, plgong <[email protected]> wrote: > 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.
you obviously have *not* done what you said that you have. as there is not reference to linking libxc in the failing command line. this means, that you didn't quite understand enough about how to compile and link applications from source. that is best helped with by contacting a local expert, or rather a person with experience in compiling/linking from source and get the proper tutoring in how to adjust your steps to compile QE. it is near impossible to teach this via e-mail to somebody that seems to have a little experience as you have. axel. > > 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 > > > > -- > > ==================================================== > Addr: Institute of Solid State Physics, Chinese Academy of > Sciences, Hefei, Anhui 230031, China > Tel: +86-551-65591591(office), 18756086113(cell phone) > Email: [email protected] > ======================================================================== > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
