CP2K ONLY works with libxc versions 2.2.2 and above

[SaeeD PourasaD]

Dear CP2K users ,

I'd like to install cp2k 3.0 in my system .

when I use this command : make -j 4 ARCH=Linux-x86-64-gfortran VERSION=popt 

I get this error :   This version of CP2K ONLY works with libxc versions 2.2.2 and above.

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

I installed libxc versions 2.2.2 in my system but this error is not cancelled ! 

Can you please let me know what the problem is ? 

Regards,

Saeed.

[Andreas Glöss]

Dear Saeed,

Due to the changes made in the LIBXC interface, CP2K requires the xc_version.h header file and the library itself needs to be compiled with the same compiler (to get compatible *.mod files).
You will need to add '-I[YOUR_LIBXC_DIR]/include' to the FCFLAGS in your CP2K arch-file.

Best regards,
Andreas

[SaeeD PourasaD]

Dear Andreas , 

Thanks for your reply . 

I added libxc directory to the FCFLAGS : 

.......

FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\

             -ftree-vectorize -funroll-loops\

             -mtune=native\

             -I$(ACML_INC) -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I[/home/saeed/libxc-2.2.2/]/INCLUDE

.....

But I get that error again . Do i make a mistake ? 

Thanks for your attention.

Regards,

Saeed.

[Andreas Glöss]

Dear Saeed,

Sorry I missed your message. The libxc include line is wrong - you should leave out the '[' and '/]'. Please have a look at our dashboard (https://dashboard.cp2k.org/). The ARCH files used are included in each of the reports.

e.g.:
https://dashboard.cp2k.org/archive/gcc492-mkl1121-popt/rev_16540.txt

Best regards,
Andreas Gloess