<div dir="ltr">Dear Davide,<div><br></div><div>What modifications  you did in the src/xc/xc_libxc_wrap.F before compilation? I am getting the following error and I do not know how to fix this. Please help. Thanks,</div><div>Megha</div><div><br></div><div>







<p class="p1"><span class="s1"><font color="#999999">/home/megha/programs/cp2k-3.0/src/xc/xc_libxc_wrap.F:58.65:</font></span></p>
<p class="p2"><font color="#999999"><span class="s1"></span><br></font></p>
<p class="p1"><span class="s1"><font color="#999999">                                             XC_HYB_GGA_X_N12_SX,&</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">                                                                 1</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">Error: Symbol 'xc_hyb_mgga_x_m11' referenced at (1) not found in module 'libxc_funcs_m'</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">/home/megha/programs/cp2k-3.0/src/xc/xc_libxc_wrap.F:65.61:</font></span></p>
<p class="p2"><font color="#999999"><span class="s1"></span><br></font></p>
<p class="p1"><span class="s1"><font color="#999999">                                             XC_MGGA_X_M11_L,&</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">                                                             1</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">Error: Symbol 'xc_mgga_x_ms2h' referenced at (1) not found in module 'libxc_funcs_m'</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/include -I/share/apps/fftw/include/ -I/home/megha/programs/libint-2.0.3-stable/include -I/home/megha/programs/libxc-3.0.0/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fri Sep 16 15:53:44 EDT 2016\"" -D__COMPILE_HOST="\"artaxerxes.mit.edu\"" -D__COMPILE_REVISION="\"svn:16458\"" -D__DATA_DIR="\"/home/megha/programs/cp2k-3.0/data\"" -D__SHORT_FILE__="\"input/cp_linked_list_real.F\"" /home/megha/programs/cp2k-3.0/src/input/cp_linked_list_real.F </font></span></p>
<p class="p1"><span class="s1"><font color="#999999">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/include -I/share/apps/fftw/include/ -I/home/megha/programs/libint-2.0.3-stable/include -I/home/megha/programs/libxc-3.0.0/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fri Sep 16 15:53:44 EDT 2016\"" -D__COMPILE_HOST="\"artaxerxes.mit.edu\"" -D__COMPILE_REVISION="\"svn:16458\"" -D__DATA_DIR="\"/home/megha/programs/cp2k-3.0/data\"" -D__SHORT_FILE__="\"input/cp_linked_list_logical.F\"" /home/megha/programs/cp2k-3.0/src/input/cp_linked_list_logical.F </font></span></p>
<p class="p1"><span class="s1"><font color="#999999">make[3]: *** [xc_libxc_wrap.o] Error 1</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">make[3]: *** Waiting for unfinished jobs....</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">make[2]: *** [all] Error 2</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">make[1]: *** [popt] Error 2</font></span></p>
<p class="p1"><span class="s1"><font color="#999999">make: *** [all] Error 2</font></span></p></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br><br>On Sunday, May 15, 2016 at 5:35:55 AM UTC-4, David T wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><br>No i didn't.<br>I've done it now and that problem is fixed. <br><br>just for completeness of info and to help other users, before having cp2k compiled with libxc3 I also had to modify src/xc/xc_libxc_wrap.F as explained here:<br><br>https://groups.google.com/<wbr>forum/#!searchin/cp2k/xc_<wbr>libxc_wrap.F/cp2k/XRLZsbmV7Hs/<wbr>kdA5o1uJBwAJ<br><br>Many Thanks<br>Davide<br><br><br></div></blockquote></div></div>