LIBXSMM (cp2kflags?)

Luiz Fernando Lopes Oliveira olive... at
Thu Jun 22 03:18:38 UTC 2017

Hi all.

I compiled  CP2K with LIBINT, LIBXC, ELPA and PLUMED2, reading throughout 
the forum I found many people (e.g. here 
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:

And on my arch file I have:

LIBXSMMROOT = /lflo/cp2k2017/cp2k/cp2k/libxsmm
 ifneq (,$(LIBXSMMROOT))
    IFLAGS  += -I$(LIBXSMMROOT)/include
    MIC_LDFLAGS += -offload-option,mic,ld,"$(LIBXSMMROOT)/lib/mic/libxsmm.a"

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? 


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