<div dir="ltr">Hi,<div>are you including the LIBXC include path to your FCFLAGS? For instance, my arch file I have</div><div> </div><div>FCFLAGS += -I${LIBXC_PATH}/include </div><div> </div><div>where LIBXC_PATH is set to the LIBXC path.</div><div> </div><div>Best regards,</div><div> </div><div>Alfio</div><div> </div><div> Il giorno lunedì 26 febbraio 2018 09:28:10 UTC+1, Ke Zhou ha scritto:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Tiziano Müller ,<div> </div><div>Your suggestion works well.</div><div> </div><div>However here comes the new problem.</div><div> </div><div> </div><div>......</div><div> ---------------------------------------------^ /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(88): error #6580: Name in only-list does not exist. [XC_GGA_X_HJS_B97X] XC_GGA_X_HJS_B97X,& ---------------------------------------------^ /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(89): error #6580: Name in only-list does not exist. [XC_GGA_X_WPBEH] XC_GGA_X_WPBEH ---------------------------------------------^ /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(91): error #6580: Name in only-list does not exist. [DP] USE kinds, ONLY: dp ---------------------------------------------^ /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(92): error #6580: Name in only-list does not exist. [XC_F90_FUNC_END] USE xc_f90_lib_m, ONLY: xc_f90_func_end,& ---------------------------------------------^ /tmp/ifortWv0tBS.i90(656): catastrophic error: Too many errors, exiting compilation aborted for xc_libxc_wrap.F90 (code 1) make[3]: *** [xc_libxc_wrap.o] Error 1 make[3]: *** Waiting for unfinished jobs.... ifort: warning #10193: -vec is default; use -x and -ax to configure vectorization ifort: warning #10193: -vec is default; use -x and -ax to configure vectorization ifort: warning #10193: -vec is default; use -x and -ax to configure vectorization ifort: warning #10193: -vec is default; use -x and -ax to configure vectorization ifort: command line warning #10006: ignoring unknown option '-ffast-math' ifort: command line warning #10006: ignoring unknown option '-ffree-form' ifort: command line warning #10006: ignoring unknown option '-ffree-line-length-none' ifort: command line warning #10159: invalid argument for option '-m' ifort: warning #10193: -vec is default; use -x and -ax to configure vectorization /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/minimax/minimax_exp.F(38): error #6580: Name in only-list does not exist. [K_MM] k_mm,& ----------------------------------------------^ compilation aborted for minimax_exp.F90 (code 1) make[3]: *** [minimax_exp.o] Error 1 make[2]: *** [all] Error 2 make[1]: *** [popt] Error 2 make: *** [all] Error 2 The FCFLAGS is as follow: FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\ -ftree-vectorize -funroll-loops\ -mtune=native\The version of gfortran is : gcc version 4.1.2 20080704.And the version of libxc is 3.0.0. I thinks the problem maybe from libxc or the old version of gfortran.Can you help me? Best,Justin 在 2018年2月26日星期一 UTC+8上午12:24:31，Tiziano Müller写道：<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Ke Try to run make like that: PATH="/home/xuzp/bin/packages/python/Python-2.7.14:${PATH}" make VERSION=sopt ARCH=local or set your path variable before running make: export PATH="/home/xuzp/bin/packages/python/Python-2.7.14:${PATH}" make VERSION=sopt ARCH=local Both options should ensure that make picks up your version of Python. And please talk to your administrator: Python 2.4 is EOL with its last bug fixing release more than 9 years ago. Best regards, Tiziano Am 24.02.2018 um 02:30 schrieb Ke Zhou: > Dear Patrick, > > Thanks for your reply. > > It returns: > > Discovering programs ... > > /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/makefiles/Makefile:42: > /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/arch/local.sopt: No such > file or directory > > make[2]: *** No rule to make target > `/home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/arch/local.sopt'. Stop. > > make[1]: *** [sopt] Error 2 > > make: *** [toolversions] Error 2 > > > I type: /usr/bin/env python -V > > It returns: > > Python 2.4.3 > > > I type: python -V > > It returns: > > Python 2.7.14 > > > Because I have no permission to change the python on the root. So I > use /alias/ to link python to the new one on my users files. > > > > alias python='/home/xuzp/bin/packages/python/Python-2.7.14/python' > > > I gauss that the python running when making is old version not the new one. > > So I thinks If I specify the path for python, it may solve the problem. > But I don't how to do it. > > > Best, > > Ke > > > 在 2018年2月23日星期五 UTC+8下午10:19:15，Patrick Seewald写道： > > It is rather strange that you get this syntax error from python > since fypp should support python 2.7.14. If you type /make > toolversions/ on the cluster (in the same directory as CP2K > makefile), what is the output for Python? > > Patrick > > Am Freitag, 23. Februar 2018 13:37:37 UTC+1 schrieb Ke Zhou: > > Dear all, > > Now I am compiling the CP2K 2.5.1 on cluster. When I making, it > returns: > > > Discovering programs ... > > Removing stale archives for popt ... > > Resolving dependencies for popt ... > > ... > > ... /cp2k-5.1/tools/build_utils/fypp -n ... > /cp2k-5.1/src/dbcsr/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 > > ... /cp2k-5.1/tools/build_utils/fypp", line 705 > > except Exception as exc: > > ^ > > SyntaxError: invalid syntax > > make[3]: *** [kinds.o] Error 1 > > make[3]: *** Waiting for unfinished jobs.... > > > I thinks it's the problem from python. > > > The version of python is: > > > python -V > > Python 2.7.14 > > > Here are my questions: > > 1. Can I directly specify the path of python on makefile? > > 2. Can I give up the build of tools? > > > Can you help me? > > > Justin > > > > > > -- > 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 rel="nofollow">cp2k+...@googlegroups.com</a> > <mailto:<a rel="nofollow">cp2k+uns...@googlegroups.com</a>>. > To post to this group, send email to <a rel="nofollow">cp...@googlegroups.com</a> > <mailto:<a rel="nofollow">cp...@googlegroups.com</a>>. > Visit this group at <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" 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" rel="nofollow" target="_blank" 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>. -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" rel="nofollow" target="_blank" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;">www.chem.uzh.ch</a> <a rel="nofollow">tizia...@chem.uzh.ch</a> </blockquote></div></div></blockquote></div></div>