<div dir="ltr">Hello Dominik, I just wanted to add to Nico's nice explanation, and give some details about what the various libraries are meant for: <ul><li>libxsmm: LIBXSMM's main library, and typically sufficient to link with. CP2K+LIBXSMM needs to link against libxsmm.a.</li><li>libxsmmf: only needed for FORTRAN code, which uses the libxsmm.mod file. CP2K+LIBXSMM needs to link against libxsmmf.a.</li><li>libxsmmext: contains functions with internal OpenMP-based threading. CP2K+LIBXSMM uses OpenMP-threads by itself (xSMP builds), and there is no need to link against libxsmmext.a.</li><li>libxsmmgen: contains LIBXSMM's code generator (backend), and the library can be used if only the low-level code generator is used. This library is also used to organize LIBXSMM's code, and is actually contained by libxsmm.a. There is no need for CP2K+LIBXSMM to link against libxsmmgen.a.</li><li>libxsmmnoblas: dummy library to deliver BLAS symbols if it is certain that LIBXSMM does not fallback to BLAS. CP2K+LIBXSMM should not link against libxsmmnoblas.a, and there is no need.</li></ul>Btw, in case of using Intel Compiler the Linux-x86-64-intel.* ARCH file(s) can be used even with non-Intel branch of CP2K by copying these files into the arch-folder (I think Nico pointed to Linux-x86-64-intel.x). In case of these "special" arch files there is the choice to intercept *all* xGEMM calls with LIBXSMM, and filter-out some (minor) additional performance opportunity. On BigCore this is definitely negligible, but perhaps beneficial on KNL. However this "choice" is sort of experimental, and can be enabled with LIBXSMM=2. For example: $ make ARCH=Linux-x86-64-intel VERSION=psmp LIBXSMM=2To also rely on LIBXSMM's transpose routine in some cases, one may use LIBXSMM=3. However, the latter requires also the Intel-branch of CP2K. Hans Am Dienstag, 27. Juni 2017 14:25:51 UTC+2 schrieb Dominik Mierzejewski:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hello, On Monday, 26 June 2017 at 07:27, Nico Holmberg wrote: > 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 Out of curiosity, why are you adding -lxsmmext and -lxsmmgen? They don't seem to be required by libxsmm or libxsmmf. Regards, Dominik -- Fedora <a href="http://fedoraproject.org/wiki/User:Rathann" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Ffedoraproject.org%2Fwiki%2FUser%3ARathann\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEVbJI8uIQZqQ5a2A32BKj2MsEvQg';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Ffedoraproject.org%2Fwiki%2FUser%3ARathann\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEVbJI8uIQZqQ5a2A32BKj2MsEvQg';return true;">http://fedoraproject.org/wiki/User:Rathann</a> RPMFusion <a href="http://rpmfusion.org" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Frpmfusion.org\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGuXI6q1gR3iH1rL6kQDvuA2gqJwQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Frpmfusion.org\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGuXI6q1gR3iH1rL6kQDvuA2gqJwQ';return true;">http://rpmfusion.org</a> "Faith manages." -- Delenn to Lennier in Babylon 5:"Confessions and Lamentations" </blockquote></div>