[CP2K:4692] CP2K with Latest LIBXC

Ananya Mondal ananya... at gmail.com
Mon Oct 14 15:20:57 UTC 2013

Dear Sir,
I have successfully compile the latest svn version of LIBXC with gnu
(I have attached the libxc_test.out file which i got from self-tests of
Then I have updated two files  libxc_funcs_m.F  and xc_libxc.F ( attached
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
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_libxc.F:(.text+0x591d): undefined reference to
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

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
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/groups/opt_out.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131014/a0b061f3/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: libxc_test.out
Type: application/octet-stream
Size: 19654 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131014/a0b061f3/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: libxc_funcs_m.F
Type: application/octet-stream
Size: 37113 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131014/a0b061f3/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: xc_libxc.F
Type: application/octet-stream
Size: 167073 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131014/a0b061f3/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: mk.out
Type: application/octet-stream
Size: 514628 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131014/a0b061f3/attachment-0003.obj>

More information about the CP2K-user mailing list