[CP2K:4693] CP2K with Latest LIBXC

Alin Marin Elena alinm... at gmail.com
Mon Oct 14 17:27:57 CEST 2013


Hi,

this smells like a linking issue... you shall add the arch file too...

regards,
Alin

On Mon 14 Oct 2013 11:20:57 Ananya Mondal wrote:
> Dear Sir,
> I have successfully compile the latest svn version of LIBXC with gnu
> compiler
> (I have attached the libxc_test.out file which i got from self-tests of
> libxc.)
> Then I have updated two files  libxc_funcs_m.F  and xc_libxc.F ( attached
> here).
> After that I have compile CP2K 2.4 successfully  without libxc.
> But when i include the libxc, I got some error (full error file attached as
> mk.out)
> "/scratch2/scratchdirs/test123/LIBXC/cp2k-2_4-branch/cp2k/cp2k/makefiles/../
> lib/libxc-gfortran-total/popt/libcp2k_lib.a(xc_libxc.o): In function
> `__xc_libxc_MOD_libxc_lsd_eval':
> xc_libxc.F:(.text+0x30b9): undefined reference to `xc_f90_func_init_'
> xc_libxc.F:(.text+0x30c6): undefined reference to `xc_f90_info_family_'
> xc_libxc.F:(.text+0x583e): undefined reference to `xc_f90_func_init_'
> xc_libxc.F:(.text+0x58ef): undefined reference to
> `xc_f90_gga_x_wpbeh_set_par_'
> xc_libxc.F:(.text+0x591d): undefined reference to
> `xc_f90_hyb_gga_xc_hse_set_par_'
> xc_libxc.F:(.text+0x5968): undefined reference to `xc_f90_info_family_'
> xc_libxc.F:(.text+0x5999): undefined reference to `xc_f90_func_end_'
> xc_libxc.F:(.text+0x6589): undefined reference to `xc_f90_func_end_'
> xc_libxc.F:(.text+0x66bd): undefined reference to `xc_f90_gga_exc_'
> 
> Thanking you
> A
> 
> 
> 
> On Mon, Oct 14, 2013 at 5:07 AM, Jörg Saßmannshausen <
> 
> j.sassma... at ucl.ac.uk> wrote:
> > Dear Ananya,
> > 
> > what is the error message you are getting? Did you manage to compile and
> > test
> > libxc?
> > 
> > We would like to help but with the very little information you provide it
> > is
> > impossible (unless you are a psychic I would guess :D )
> > 
> > All the best from a cold and wet London
> > 
> > Jörg
> > 
> > On Monday 14 October 2013 08:08:42 Ananya Mondal wrote:
> > > *Dear CP2K Developers and Users,
> > > *
> > > 
> > > *I am trying to compile CP2K with the latest developer version of LIBXC,
> > 
> > *
> > 
> > > *(svn co http://www.tddft.org/svn/octopus/trunk/libxc/)
> > > But I was unable to do that.
> > > Has anyone already developed the latest LIBXC with CP2K?
> > > *
> > > *Thanking You,
> > > Ananya *
> > 
> > --
> > *************************************************************
> > Jörg Saßmannshausen
> > University College London
> > Department of Chemistry
> > Gordon Street
> > London
> > WC1H 0AJ
> > 
> > email: j.sassma... at ucl.ac.uk
> > web: http://sassy.formativ.net
> > 
> > Please avoid sending me Word or PowerPoint attachments.
> > See http://www.gnu.org/philosophy/no-word-attachments.html
> > 
> > --
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-- 
​Without Questions there are no Answers!
______________________________________________________________________
Dr. Alin Marin ELENA
http://alin.elenaworld.net/
______________________________________________________________________




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