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

S Ling lingsa... at gmail.com
Sat May 14 19:06:14 UTC 2016


Hi Davide,

Did you try "-I/$(LIBXC)/include", i.e. LIBXC with brackets?

SL


On 14 May 2016 at 17:21, David T <amazing... at gmail.com> wrote:

> Hello
>
> After having compiled CP2K 3.0 (svn 16458) with LIBINIT, I am trying to
> add LIBXC but I had the same problem of Daniele.
>
> xc_libxc_wrap.F(28): #error: can't find include file: xc_version.h
> make[3]: *** [xc_libxc_wrap.o] Error 1
>
> as you can see in the arc file (below) I am using libxc3.0 and I added
> -I/$LIBXC/include still the problem persist.
>
> So I am bit lost :-?
> any suggestion?
>
> Cheers
> Davide
>
>
> This is my arc file:
>
> MKLROOT=/ssoft/intel/15.0.0/RH6/all/x86_E5v2/mkl
> INTEL_INC=$(MKLROOT)/include
> FFTW3=/ssoft/fftw/3.3.4/RH6/intel-15.0.0/x86_E5v2/intelmpi
> LIBXC=/home/tiana/cp2k-3.0/libxc-3.0.0
> LIBINT=/home/tiana/cp2k-3.0/libint-1.1.4/
>
> CC       = icc
> CPP      =
> FC       = mpiifort
> FC_fixed = mpiifort
> LD       = mpiifort
> AR       = /usr/bin/ar -r
>
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I$(FFTW3)/include -O2 -heap-arrays 64
> \
>            -I$(LIBINT)/include -I/$LIBXC/include -funroll-loops -fpp -free
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
> LIBS     = $(FFTW3)/lib/libfftw3.a \
>            $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a \
>            -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a \
>            $(MKLROOT)/lib/intel64/libmkl_core.a \
>            $(MKLROOT)/lib/intel64/libmkl_sequential.a \
>            -Wl,--end-group \
>            $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a \
>            -lpthread \
>            $(LIBINT)/lib/libderiv.a \
>            $(LIBINT)/lib/libint.a \
>            $(LIBXC)/lib/libxc.a \
>            $(LIBXC)/lib/libxcf90.a \
>            -lstdc++
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
>
> --
> 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 https://groups.google.com/group/cp2k.
>
> For more options, visit https://groups.google.com/d/optout.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160514/ec4bc8e8/attachment.htm>


More information about the CP2K-user mailing list