<div dir="ltr">Hi,<br><br>You seem to be missing the library flags for LIBXSMM. I have set the following flags (gfortran)<br><br>LIBXSMM_LIB=/homeappl/home/nholmber/appl_sisu/lib/libxsmm-1.7.1/lib<br>LIBXSMM_INC=/homeappl/home/nholmber/appl_sisu/lib/libxsmm-1.7.1/include<br><br>DFLAGS  += -D__LIBXSMM<br>FCFLAGS += -I$(LIBXSMM_INC)<br>LDFLAGS  = $(FCFLAGS)<br>LIBS     += -L$(LIBXSMM_LIB) -lxsmm -lxsmmext -lxsmmgen -lxsmmf<br><br>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><br><br>BR, <br><br>Nico<br><br>torstai 22. kesäkuuta 2017 6.18.38 UTC+3 Luiz Fernando Lopes Oliveira kirjoitti:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi all.<div><br></div><div>I compiled  CP2K with LIBINT, LIBXC, ELPA and PLUMED2, reading throughout the forum I found many people (e.g. <a href="https://groups.google.com/forum/#!searchin/cp2k/libxsmm%7Csort:date/cp2k/xgkJc59NKGw/U5v5FtzTBwAJ" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/forum/#!searchin/cp2k/libxsmm%7Csort:date/cp2k/xgkJc59NKGw/U5v5FtzTBwAJ';return true;" onclick="this.href='https://groups.google.com/forum/#!searchin/cp2k/libxsmm%7Csort:date/cp2k/xgkJc59NKGw/U5v5FtzTBwAJ';return true;">here</a>) saying that LIBXSMM also helps to speed up CP2K.</div><div><br></div><div>I installed it (without errors) with </div><pre style="font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:13.6px;margin-bottom:16px;font-stretch:normal;line-height:1.45;word-wrap:normal;padding:16px;overflow:auto;background-color:rgb(246,248,250);border-radius:3px;color:rgb(36,41,46)"><code style="font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:13.6px;background:transparent;border-radius:3px;word-break:normal;display:inline;overflow:visible;line-height:inherit;word-wrap:normal">make -f /path/to/libxsmm/Makefile<br></code></pre><div>following the info from: <a href="https://github.com/hfp/libxsmm/blob/master/README.md" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fhfp%2Flibxsmm%2Fblob%2Fmaster%2FREADME.md\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFMyjm5dHoleGW2OwMD1xVU5VfAkg';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fhfp%2Flibxsmm%2Fblob%2Fmaster%2FREADME.md\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFMyjm5dHoleGW2OwMD1xVU5VfAkg';return true;">https://github.com/hfp/<wbr>libxsmm/blob/master/README.md</a></div><div><br></div><div>And on my arch file I have:</div><div><br></div><div>LIBXSMMROOT = /lflo/cp2k2017/cp2k/cp2k/<wbr>libxsmm<br></div><div><div> ifneq (,$(LIBXSMMROOT))</div><div>    DFLAGS  += -D__LIBXSMM</div><div>    IFLAGS  += -I$(LIBXSMMROOT)/include</div><div>    MIC_LDFLAGS += -offload-option,mic,ld,"$(<wbr>LIBXSMMROOT)/lib/mic/libxsmm.<wbr>a"</div><div>  endif</div></div><div><br></div><div>I then compile CP2K (also without errors).</div><div>However, when running a regtest, I can only see information about the other libraries mentioned above:</div><div><br></div><div>cp2kflags: omp libint fftw3 libxc elpa=201611 elpa_qr parallel mpi3 scalapack libderiv_max_am1=5 libint_max_am=6 plumed2<br></div><div><br></div><div>Also, the number of tests performed is exactly the same as before the LIBXSMM compilation.</div><div><br></div><div>My questions are: should the cp2kflags show something for LIBXSMM? Are there any tests for LIBXSMM? </div><div><br></div><div>Thanks!</div><div><br></div><div><br></div><div><br></div></div></blockquote></div>