LIBXSMM (cp2kflags?)

[Nico Holmberg]

Hi,

You seem to be missing the library flags for LIBXSMM. I have set the 
following flags (gfortran)

LIBXSMM_LIB=/homeappl/home/nholmber/appl_sisu/lib/libxsmm-1.7.1/lib
LIBXSMM_INC=/homeappl/home/nholmber/appl_sisu/lib/libxsmm-1.7.1/include

DFLAGS  += -D__LIBXSMM
FCFLAGS += -I$(LIBXSMM_INC)
LDFLAGS  = $(FCFLAGS)
LIBS     += -L$(LIBXSMM_LIB) -lxsmm -lxsmmext -lxsmmgen -lxsmmf

There are no regtests from libxsmm, but you should see the libxsmm flag 
listed in CP2K output files once you've successfully linked the library.


BR, 

Nico

torstai 22. kesäkuuta 2017 6.18.38 UTC+3 Luiz Fernando Lopes Oliveira 
kirjoitti:
>
> Hi all.
>
> I compiled  CP2K with LIBINT, LIBXC, ELPA and PLUMED2, reading throughout 
> the forum I found many people (e.g. here 
> <https://groups.google.com/forum/#!searchin/cp2k/libxsmm%7Csort:date/cp2k/xgkJc59NKGw/U5v5FtzTBwAJ>) 
> saying that LIBXSMM also helps to speed up CP2K.
>
> I installed it (without errors) with 
>
> make -f /path/to/libxsmm/Makefile
>
> following the info from: 
> https://github.com/hfp/libxsmm/blob/master/README.md
>
> And on my arch file I have:
>
> LIBXSMMROOT = /lflo/cp2k2017/cp2k/cp2k/libxsmm
>  ifneq (,$(LIBXSMMROOT))
>     DFLAGS  += -D__LIBXSMM
>     IFLAGS  += -I$(LIBXSMMROOT)/include
>     MIC_LDFLAGS += 
> -offload-option,mic,ld,"$(LIBXSMMROOT)/lib/mic/libxsmm.a"
>   endif
>
> I then compile CP2K (also without errors).
> However, when running a regtest, I can only see information about the 
> other libraries mentioned above:
>
> cp2kflags: omp libint fftw3 libxc elpa=201611 elpa_qr parallel mpi3 
> scalapack libderiv_max_am1=5 libint_max_am=6 plumed2
>
> Also, the number of tests performed is exactly the same as before the 
> LIBXSMM compilation.
>
> My questions are: should the cp2kflags show something for LIBXSMM? Are 
> there any tests for LIBXSMM? 
>
> Thanks!
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170625/4acd1fec/attachment.htm>