<div dir="ltr">Dear Suman,<br><br>I don't this is a problem with libxc. It looks more like you enabled the flag for libsmm (maybe in an earlier version of the arch file) and the did not link it in.<br>There are prebuild versions of libsmm available here: http://www.cp2k.org/static/downloads/libsmm/<br><br>-Ole<br><br>Am Mittwoch, 2. September 2015 12:41:26 UTC+2 schrieb Suman Chakrabarty:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hello,<div><br></div><div>I am trying to install the dependencies of CP2K using the supplied tools/toolchain/<wbr>install_cp2k_toolchain.sh script. Even though the script exits successfully, while compiling CP2K I realized that libxc has not compiled successfully.</div><div><br></div><div>For cp2k-2.6.1: libxcver=2.0.1</div><div>The build/libxc-2.0.1/make.log file contains these warnings/errors:</div><div>==============================<wbr>=============================</div><div><div>/bin/bash ../libtool  --tag=CC --tag=F77  --mode=compile gcc -DHAVE_CONFIG_H -I. -I..     -O2 -ftree-vectorize -g -fno-omit-frame-pointer -march=native -ffast-math -MT libxc_la-version.lo -MD -MP -MF .deps/libxc_la-version.Tpo -c -o libxc_la-version.lo `test -f 'version.c' || echo './'`version.c</div><div>libtool: ignoring unknown tag F77</div></div><div><br></div><div><---snip---></div><div><br></div><div><div>libtool: compile:  gfortran -O2 -ftree-vectorize -g -fno-omit-frame-pointer -march=native -ffast-math -c libxc.f90 -o libxc_la-libxc.o</div><div>/usr/include/stdc-predef.h:1.<wbr>1:</div><div>    Included at ./libxc_master.F90:1:</div><div><br></div><div>/* Copyright (C) 1991-2014 Free Software Foundation, Inc.</div><div> 1</div><div>Error: Invalid character in name at (1)</div><div>/usr/include/stdc-predef.h:2.<wbr>3:</div><div>    Included at ./libxc_master.F90:1:</div></div><div>==============================<wbr>==============================<wbr>=====</div><div><br></div><div>For the latest svn version: libxc_ver=2.2.2</div><div>libxc compilation completes successfully.</div><div><br></div><div>But CP2K compilation gives following error:</div><div><br></div><div><div>mpif90 -L/home/suman/sources/CP2K/<wbr>cp2k/cp2k/tools/toolchain/<wbr>install/lib -march=native -fno-omit-frame-pointer -g  -O3 -ffast-math   -I/home/suman/sources/CP2K/<wbr>cp2k/cp2k/tools/toolchain/<wbr>install/include -std=f2003 -fimplicit-none -ffree-form  -D__parallel -D__MPI_VERSION=3 -D__SCALAPACK -D__LIBXC2 -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__FFTW3 -I/home/suman/sources/CP2K/<wbr>cp2k/cp2k/tools/toolchain/<wbr>install/include/elpa-2015.05.<wbr>001/modules -D__ELPA2 -D__LIBPEXSI -D__QUIP  -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Sep  2 16:03:15 IST 2015\"" -D__COMPILE_HOST="\"mercury\"" -D__COMPILE_REVISION="\"svn:<wbr>15799\"" -D__DATA_DIR="\"/home/suman/<wbr>sources/CP2K/cp2k/cp2k/data\"" -L/home/suman/sources/CP2K/<wbr>cp2k/cp2k/lib/local/popt -o /home/suman/sources/CP2K/cp2k/<wbr>cp2k/exe/local/dbcsr_<wbr>performance_driver.popt dbcsr_performance_driver.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap -lcp2kbase -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lquip_core -latoms -lFoX_sax -lFoX_common -lFoX_utils -lFoX_fsys -lpexsi_linux_v0.8.0 -lsuperlu_dist_3.3 -lptscotchparmetis -lptscotch -lptscotcherr -lscotchmetis -lscotch -lscotcherr -lelpa -lfftw3  -lderiv -lint -lxcf90 -lxc -lscalapack -lopenblas_serial  -lstdc++  </div><div>/home/suman/sources/CP2K/cp2k/<wbr>cp2k/lib/local/popt/<wbr>libdbcsrmm.a(dbcsr_mm_hostdrv.<wbr>o): In function `smm_process_mm_stack_d':</div><div>/home/suman/sources/CP2K/cp2k/<wbr>cp2k/src/dbcsr/mm/dbcsr_mm_<wbr>hostdrv_d.f90:135: undefined reference to `smm_dnn_'</div></div><div><br></div><div>Can anybody please suggest how to troubleshoot this? I am trying to compile only popt and psmp versions.</div><div><br></div><div>Thanks,</div><div>Suman.</div><div><br></div><div><br></div></div></blockquote></div>