[QE-users] Compilation of QE v6.5 using libxc-4.3.4

arini kar arini.kar at gmail.com
Sat Feb 29 15:33:09 CET 2020


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
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