Dear users, I am currently using quantum espresso v6.5. I have been trying to add libxc-4.3.4 using the following command: configure --with-libxc --with-libxc-prefix=... --with-libxc-include=.... and QE configures successfully. However, while making pw.x the following error occurs:
../../Modules/libqemod.a(funct.o): In function `__funct_MOD_set_dft_from_name': /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:721: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_init' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:722: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_get_info' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:723: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_info_get_n_ext_params' /home/arini/Downloads/QE/q-e-qe-6.5/Modules/funct.f90:724: undefined reference to `__xc_f03_lib_m_MOD_xc_f03_func_end' collect2: error: ld returned 1 exit status Makefile:256: recipe for target 'pw.x' failed make[2]: *** [pw.x] Error 1 make[2]: Leaving directory '/home/arini/Downloads/QE/q-e-qe-6.5/PW/src' Makefile:9: recipe for target 'pw' failed make[1]: *** [pw] Error 1 make[1]: Leaving directory '/home/arini/Downloads/QE/q-e-qe-6.5/PW' Makefile:74: recipe for target 'pw' failed make: *** [pw] Error 1 I am not able to find a solution to the problem. I request you to help me with suggestions and possible corrections to overcome the error. Regards Arini Kar PhD scholar Indian Institute of Technology Bombay India
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
