libxc-4.0

Luca luca.d... at gmail.com
Mon Oct 23 09:08:15 UTC 2017


Dear Developers 

I tried to compile cp2k with lixc-4.0 because I wanted to test the TM  (TAO 
and MO) functional.
However, I got the following error.  Does cp2k support libxc-4.0 ? In the 
wiki there is written that cpk should support 
libxc version 2.2 and later. Am I missing something in the arch file? 

Best Regards.
Luca 


/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(99): error 
#6580: Name in only-list does not exist.   [XC_F90_GGA_LB_SET_PAR]
                                   xc_f90_gga_lb_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(101): error 
#6580: Name in only-list does not exist.   [XC_F90_GGA_X_HJS_SET_PAR]
                                   xc_f90_gga_x_hjs_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(102): error 
#6580: Name in only-list does not exist.   [XC_F90_GGA_X_WPBEH_SET_PAR]
                                   xc_f90_gga_x_wpbeh_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(104): error 
#6580: Name in only-list does not exist.   [XC_F90_HYB_GGA_XC_HSE_SET_PAR]
                                   xc_f90_hyb_gga_xc_hse_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(113): error 
#6580: Name in only-list does not exist.   [XC_F90_LDA_C_1D_CSC_SET_PAR]
                                   xc_f90_lda_c_1d_csc_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(114): error 
#6580: Name in only-list does not exist.   [XC_F90_LDA_C_2D_PRM_SET_PAR]
                                   xc_f90_lda_c_2d_prm_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(115): error 
#6580: Name in only-list does not exist.   [XC_F90_LDA_C_XALPHA_SET_PAR]
                                   xc_f90_lda_c_xalpha_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(121): error 
#6580: Name in only-list does not exist.   [XC_F90_LDA_X_1D_SET_PAR]
                                   xc_f90_lda_x_1d_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(122): error 
#6580: Name in only-list does not exist.   [XC_F90_LDA_X_SET_PAR]
                                   xc_f90_lda_x_set_par,&
-----------------------------------^
/CODES/CP2K/cp2k-trunk-23oct2017/cp2k/src/xc/xc_libxc_wrap.F(129): error 
#6580: Name in only-list does not exist.   [XC_F90_MGGA_X_TB09_SET_PAR]
                                   xc_f90_mgga_x_tb09_set_par,&
---------------------------------------------^
compilation aborted for xc_libxc_wrap.F90 (code 1)





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