<div dir="ltr">Thank you once again, Ole. It turns out that for the compilers I'm using (intel 17 compilers), I had to use IFLAGS instead of FCFLAGS.<div>So the problem of the include files seems to be solved.</div><div><br></div><div>Now, the error I'm getting, still related with ELPA, is the following:</div><div><div><br></div></div><div><div>/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/lib/Linux-x86-64-intel-host/psmp/libcp2kfm.a(cp_fm_elpa.o): In function `cp_fm_elpa_mp_cp_fm_diag_elpa_':</div><div>cp_fm_elpa.F90:(.text+0x128b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x23db): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x315b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x3def): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/lib/Linux-x86-64-intel-host/psmp/libcp2kfm.a(cp_fm_elpa.o): In function `cp_fm_elpa_mp_cp_fm_diag_elpa_':</div><div>cp_fm_elpa.F90:(.text+0x128b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x23db): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x315b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x3def): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/lib/Linux-x86-64-intel-host/psmp/libcp2kfm.a(cp_fm_elpa.o): In function `cp_fm_elpa_mp_cp_fm_diag_elpa_':</div><div>cp_fm_elpa.F90:(.text+0x128b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x23db): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x315b): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>cp_fm_elpa.F90:(.text+0x3def): undefined reference to `elpa2_mp_solve_evp_real_2stage_double_'</div><div>make[3]: *** [/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/exe/Linux-x86-64-intel-host/cp2k_shell.psmp] Error 1</div><div>make[3]: *** Waiting for unfinished jobs....</div><div>make[3]: *** [/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/exe/Linux-x86-64-intel-host/libcp2k_unittest.psmp] Error 1</div><div>make[3]: *** [/gscratch/pfaendtner/lflo/cp2k2017/cp2k/cp2k/exe/Linux-x86-64-intel-host/cp2k.psmp] Error 1</div><div>make[2]: *** [all] Error 2</div><div>make[1]: *** [psmp] Error 2</div><div>make: *** [all] Error 2</div></div><div><br></div><div>Do you have any idea for solving it?</div><div><div><br>On Friday, June 16, 2017 at 9:40:43 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;">Dear Luiz, <br> <br>the __ELPA3 flag has been removed and has therefore no effect. The error <br>message you posted earlier clearly states that the compiler can't find <br>the file "elpa_kernel_constants.h". This file is essential for using <br>Elpa. So, you should really investigate why the compiler can't find it. <br> <br>-Ole <br> <br>On 2017-06-16 16:37, Luiz Fernando Lopes Oliveira wrote: <br>> Thank Ole. <br>> Yes, I tried exactly what's is written on the howto pages, it didn't <br>> work. The only way I managed it to compile is using -D__ELPA3 <br>> <br>> On Friday, June 16, 2017 at 7:21:56 AM UTC-7, Ole Schütt wrote: <br>> <br>>> Sorry, I forgot to mention that you also need to add the following <br>>> two <br>>> include directories to FCFLAGS: <br>>> <br>>> -I$(ELPA_INCLUDE_DIR)/modules <br>>> -I$(ELPA_INCLUDE_DIR)/elpa <br>>> <br>>> The compiler has to be able to find "elpa_kernel_constants.h" and <br>>> "elpa2.mod" . <br>>> <br>>> -Ole <br>>> <br>>> On 2017-06-16 16:11, Luiz Fernando Lopes Oliveira wrote: <br>>>> Hi Ole. Thanks for your reply. <br>>>> Well, as I mentioned in my first message using the flags as said <br>>> in <br>>>> the HOWTOs pages I couldn't even compile the code. <br>>>> The error I got using -D__ELPA=201605 is the following: <br>>>> _CP2K/SRC/FM/CP_FM_ELPA.F:23: ERROR: ELPA_KERNEL_CONSTANTS.H: NO <br>>> SUCH <br>>>> FILE OR DIRECTORY_ <br>>>> <br>>>> On Friday, June 16, 2017 at 4:45:33 AM UTC-7, Ole Schütt wrote: <br>>>> <br>>>>> Hi Luiz, <br>>>>> <br>>>>> the flags for ELPA have recently been changed: <br>>>>> <br>>>>> <br>>>> <br>>> <br>> <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:<wbr>compile#l_elpa_optional_<wbr>improved_performance_for_<wbr>diagonalization</a> <br>>> [1] <br>>>>> [1] <br>>>>> <br>>>>> You will need to use -D__ELPA=201605 . <br>>>>> <br>>>>> -Ole <br>>>>> <br>>>>> On 2017-06-16 02:43, Luiz Fernando Lopes Oliveira wrote: <br>>>>>> Hi. <br>>>>>> <br>>>>>> I sucessufuly compiled elpa-2016.05 and added these flats to my <br>>>>> .arch <br>>>>>> file: <br>>>>>> <br>>>>>> ELPA_INC=/path/elpa-2016.05.<wbr>004/build/include <br>>>>>> ELPA_LIB=/path/elpa-2016.05.<wbr>004/build/lib <br>>>>>> DFLAGS += -D__ELPA3 <br>>>>>> FCFLAGS += -I$(ELPA_INC) <br>>>>>> LDFLAGS +=-L$(ELPAROOT) <br>>>>>> LIBS += -L$(ELPA_LIB) -lelpa <br>>>>>> CPPFLAGS += -I$(ELPA_INC) <br>>>>>> <br>>>>>> which produced no error during the CP2K compilation. <br>>>>>> <br>>>>>> I had to use LD_LIBRARY_PATH and point to libelpa.so.4. <br>>>>>> <br>>>>>> So far so good, my problem comes when I used the keyword <br>>>>>> PREFERRED_DIAG_LIBRARY ELPA in my input, the output says WARNING <br>>> : <br>>>>> <br>>>>>> DIAGONALIZATION library ELPA is not available Trying SCALAPACK <br>>>>>> <br>>>>>> Am I using the correct the correct flags in .arch file? <br>>>>>> <br>>>>>> I know that that's not what the HOWTO page says, but using those <br>>> <br>>>>> flags <br>>>>>> I couldn't even compile the code. <br>>>>>> I found the ones I mentioned above here in the forum. <br>>>>>> <br>>>>>> -- <br>>>>>> You received this message because you are subscribed to the <br>>> Google <br>>>>> <br>>>>>> Groups "cp2k" group. <br>>>>>> To unsubscribe from this group and stop receiving emails from <br>>> it, <br>>>>> send <br>>>>>> an email to <a>cp2k+...@googlegroups.com</a>. <br>>>>>> To post to this group, send email to <a>cp...@googlegroups.com</a>. <br>>>>>> 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/<wbr>group/cp2k</a> [2] <br>>> [2]. <br>>>>>> 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/<wbr>optout</a> [3] <br>>> [3]. <br>>>> <br>>>> -- <br>>>> You received this message because you are subscribed to the Google <br>>> <br>>>> Groups "cp2k" group. <br>>>> To unsubscribe from this group and stop receiving emails from it, <br>>> send <br>>>> an email to <a>cp2k+...@googlegroups.com</a>. <br>>>> To post to this group, send email to <a>cp...@googlegroups.com</a>. <br>>>> 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/<wbr>group/cp2k</a> [2]. <br>>>> 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/<wbr>optout</a> [3]. <br>>>> <br>>>> <br>>>> Links: <br>>>> ------ <br>>>> [1] <br>>>> <br>>> <br>> <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:<wbr>compile#l_elpa_optional_<wbr>improved_performance_for_<wbr>diagonalization</a> <br>>> [1] <br>>>> [2] <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/<wbr>group/cp2k</a> [2] <br>>>> [3] <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/<wbr>optout</a> [3] <br>> <br>> -- <br>> You received this message because you are subscribed to the Google <br>> Groups "cp2k" group. <br>> To unsubscribe from this group and stop receiving emails from it, send <br>> an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="wVJmvLMKBAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.<wbr>com</a>. <br>> To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="wVJmvLMKBAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. <br>> 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/<wbr>group/cp2k</a>. <br>> 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/<wbr>optout</a>. <br>> <br>> <br>> Links: <br>> ------ <br>> [1] <br>> <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:<wbr>compile#l_elpa_optional_<wbr>improved_performance_for_<wbr>diagonalization</a> <br>> [2] <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/<wbr>group/cp2k</a> <br>> [3] <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/<wbr>optout</a> <br> <br></blockquote></div></div></div>