<div dir="ltr">Dear Matthias<div><br></div><div>thank you a lot for your help!.</div><div>Best Regards</div><div><br></div><div>Luca<br><br>On Saturday, May 2, 2020 at 10:16:59 PM UTC+2, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Hi Luca</div><div><br></div><div>that error is caused by a change in the build of libxc 5.0.0 with respect to 4.3.4. Check <a href="https://gitlab.com/libxc/libxc/-/issues/183" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgitlab.com%2Flibxc%2Flibxc%2F-%2Fissues%2F183\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHnCvHyxYNJW_9gNN4l7aPUUeoERw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgitlab.com%2Flibxc%2Flibxc%2F-%2Fissues%2F183\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHnCvHyxYNJW_9gNN4l7aPUUeoERw';return true;">that issue</a> on the libxc pages. Just wait for the next libxc 5.x release which should have again the Fortran 2003 bindings labelled with f03. That should fix the issue.<br></div><div><br></div><div>Best regards</div><div><br></div><div>Matthias<br></div><br>On Saturday, 2 May 2020 19:23:10 UTC+2, Luca  wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Developers<div><br></div><div>I am trying to install CP2K wìth the latest libxc library (5.0.0), which contains many new functionals.</div><div>Unfortunately, I get the following error:</div><div><br></div><div>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>--</div><div><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">s_2018.5.274/linux/mkl/<wbr>include/fftw
-O2 -fopenmp -fpp -free -heap-arrays 64 -I/home/ /LIBS/INTEL/18/install/<wbr>libxc500/include
-I/home/LIBS/INTEL/18/install/<wbr>libint260-lmax6/include 
-D__COMPILE_ARCH="\"Linux-<wbr>ia64-intel18_ld_lxc500_<wbr>lbnt260\""
-D__COMPILE_DATE="\"sab  2 mag
2020, 18.07.34, CEST\""
-D__COMPILE_HOST="\"ngrowth1\"<wbr>"
-D__COMPILE_REVISION="\"git:<wbr>3988e81\""
-D__DATA_DIR="\"/home/ /CODES/INTEL/18/build/cp2k/<wbr>data\""
-D__SHORT_FILE__="\"domain_<wbr>submatrix_methods.F\"" -I'/home//CODES/INTEL/18/<wbr>build/cp2k/src/'
-I'/home/CODES/INTEL/18/build/<wbr>cp2k/obj/Linux-ia64-intel18_<wbr>ld_lxc500_lbnt260/psmp/exts/<wbr>dbcsr'
domain_submatrix_methods.F90 </span></p><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">/home/CODES/INTEL/18/build/<wbr>cp2k/src/xc/xc_libxc_wrap.F(<wbr>32):
error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [XC_F03_LIB_M]</span></p><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">   USE xc_f03_lib_m, ONLY: xc_f03_func_end,
&</span></p><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">-------^</span></p><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">/home/CODES/INTEL/18/build/<wbr>cp2k/src/xc/xc_libxc_wrap.F(<wbr>137):
error #6457: This derived type name has not been declared.   [XC_F03_FUNC_INFO_T]</span></p><p class="MsoNormal">









</p><p class="MsoNormal"><span style="font-size:10pt;line-height:107%;font-family:Arial,sans-serif">      TYPE(xc_f03_func_info_t), INTENT(IN)               :: xc_info</span></p></div><div>------------------------------<wbr>------------------------------<wbr>----------------------</div><div><br></div><div><br></div><div>I checked the include path and I gave to cp2k the correct one. </div><div>Is there a new flag to add to the arch file? </div><div>Could you please help me with fixing the error?</div><div><br></div><div>Best Regards.</div><div>Luca </div><div><br></div></div></blockquote></div></blockquote></div></div>