[CP2K:7749] Missing file on Compiling the trunk of 2015-11-30 ?

Megha Anand meghaan... at gmail.com
Sat Sep 17 01:42:30 CEST 2016


Dear Davide,

What modifications  you did in the src/xc/xc_libxc_wrap.F before 
compilation? I am getting the following error and I do not know how to fix 
this. Please help. Thanks,
Megha

/home/megha/programs/cp2k-3.0/src/xc/xc_libxc_wrap.F:58.65:


                                             XC_HYB_GGA_X_N12_SX,&

                                                                 1

Error: Symbol 'xc_hyb_mgga_x_m11' referenced at (1) not found in module 
'libxc_funcs_m'

/home/megha/programs/cp2k-3.0/src/xc/xc_libxc_wrap.F:65.61:


                                             XC_MGGA_X_M11_L,&

                                                             1

Error: Symbol 'xc_mgga_x_ms2h' referenced at (1) not found in module 
'libxc_funcs_m'

mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC3 -D__LIBINT_MAX_AM=7 
-D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 
-ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize 
-funroll-loops -mtune=native -I/include -I/share/apps/fftw/include/ 
-I/home/megha/programs/libint-2.0.3-stable/include 
-I/home/megha/programs/libxc-3.0.0/include 
-D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fri Sep 16 
15:53:44 EDT 2016\"" -D__COMPILE_HOST="\"artaxerxes.mit.edu\"" 
-D__COMPILE_REVISION="\"svn:16458\"" 
-D__DATA_DIR="\"/home/megha/programs/cp2k-3.0/data\"" 
-D__SHORT_FILE__="\"input/cp_linked_list_real.F\"" 
/home/megha/programs/cp2k-3.0/src/input/cp_linked_list_real.F 

mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC3 -D__LIBINT_MAX_AM=7 
-D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 
-ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize 
-funroll-loops -mtune=native -I/include -I/share/apps/fftw/include/ 
-I/home/megha/programs/libint-2.0.3-stable/include 
-I/home/megha/programs/libxc-3.0.0/include 
-D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fri Sep 16 
15:53:44 EDT 2016\"" -D__COMPILE_HOST="\"artaxerxes.mit.edu\"" 
-D__COMPILE_REVISION="\"svn:16458\"" 
-D__DATA_DIR="\"/home/megha/programs/cp2k-3.0/data\"" 
-D__SHORT_FILE__="\"input/cp_linked_list_logical.F\"" 
/home/megha/programs/cp2k-3.0/src/input/cp_linked_list_logical.F 

make[3]: *** [xc_libxc_wrap.o] Error 1

make[3]: *** Waiting for unfinished jobs....

make[2]: *** [all] Error 2

make[1]: *** [popt] Error 2

make: *** [all] Error 2







On Sunday, May 15, 2016 at 5:35:55 AM UTC-4, David T wrote:
>
>
> No i didn't.
> I've done it now and that problem is fixed. 
>
> just for completeness of info and to help other users, before having cp2k 
> compiled with libxc3 I also had to modify src/xc/xc_libxc_wrap.F as 
> explained here:
>
>
> https://groups.google.com/forum/#!searchin/cp2k/xc_libxc_wrap.F/cp2k/XRLZsbmV7Hs/kdA5o1uJBwAJ
>
> Many Thanks
> Davide
>
>
>
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