[CP2K:9575] libxc-4.0

[hut... at chem.uzh.ch]

Hi

CP2K does not yet support libxc 4.0 (some API changes in the 
XC library have to be ported to CP2K).
We hope to address these problems in the near future.

regards

Juerg Hutter
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----
To: cp2k <cp... at googlegroups.com>
From: Luca 
Sent by: cp... at googlegroups.com
Date: 10/23/2017 11:08AM
Subject: [CP2K:9575] libxc-4.0

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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