<div dir="ltr">Hi Ole. Thanks for your reply. <div>Well, as I mentioned in my first message using the flags as said in the HOWTOs pages I couldn't even compile the code. </div><div>The error I got using -D__ELPA=201605 is the following: cp2k/src/fm/cp_fm_elpa.F:23: error: elpa_kernel_constants.h: No such file or directory</div><div> On Friday, June 16, 2017 at 4:45:33 AM UTC-7, Ole Schütt wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Luiz, the flags for ELPA have recently been changed: <a href="https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fhowto%3Acompile%23l_elpa_optional_improved_performance_for_diagonalization\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFJFILzobt9hWkKcn0p3Apwa4Povg';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fhowto%3Acompile%23l_elpa_optional_improved_performance_for_diagonalization\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFJFILzobt9hWkKcn0p3Apwa4Povg';return true;">https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization</a> You will need to use -D__ELPA=201605 . -Ole On 2017-06-16 02:43, Luiz Fernando Lopes Oliveira wrote: > Hi. > > I sucessufuly compiled elpa-2016.05 and added these flats to my .arch > file: > > ELPA_INC=/path/elpa-2016.05.004/build/include > ELPA_LIB=/path/elpa-2016.05.004/build/lib > DFLAGS += -D__ELPA3 > FCFLAGS += -I$(ELPA_INC) > LDFLAGS +=-L$(ELPAROOT) > LIBS += -L$(ELPA_LIB) -lelpa > CPPFLAGS += -I$(ELPA_INC) > > which produced no error during the CP2K compilation. > > I had to use LD_LIBRARY_PATH and point to libelpa.so.4. > > So far so good, my problem comes when I used the keyword > PREFERRED_DIAG_LIBRARY ELPA in my input, the output says WARNING : > DIAGONALIZATION library ELPA is not available Trying SCALAPACK > > Am I using the correct the correct flags in .arch file? > > I know that that's not what the HOWTO page says, but using those flags > I couldn't even compile the code. > I found the ones I mentioned above here in the forum. > > -- > 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 <a href="javascript:" target="_blank" gdf-obfuscated-mailto="0iKlIJj6AwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="0iKlIJj6AwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. </blockquote></div></div>