<div dir="ltr"><div class="gmail_default" style="font-family:garamond,serif">Dear Matthias,</div><div class="gmail_default" style="font-family:garamond,serif"><br></div><div class="gmail_default" style="font-family:garamond,serif">I compiled it successfully.</div><div class="gmail_default" style="font-family:garamond,serif">Thank you. </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, 24 Mar 2019 at 15:13, Krack Matthias (PSI) <<a href="mailto:matthia...@psi.ch">matthia...@psi.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"> <div lang="DE"> <div class="gmail-m_6519753526132638356WordSection1"> <p class="MsoNormal"><span style="font-size:12pt;color:black">Hi Phuong Nguyen<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:12pt;color:black">The error is quite clear, you have to provide/install the libz on your system. The corresponding (Centos) package is most likely zlib. <u></u><u></u></span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:12pt;color:black"><u></u> <u></u></span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:12pt;color:black">Matthias</span><span lang="EN-GB"><u></u><u></u></span></p> <p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p> <p class="MsoNormal"><b>Von:</b> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>> <b> Im Auftrag von </b>Phuong Nguyen<br> <b>Gesendet:</b> Sonntag, 24. März 2019 12:43<br> <b>An:</b> cp2k <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>><br> <b>Betreff:</b> [CP2K:11474] Error when compiling CP2K 6.1 ver popt<u></u><u></u></p> <p class="MsoNormal"><u></u> <u></u></p> <div> <p><span style="font-size:12pt;color:black">Hello,<u></u><u></u></span></p> <div> <div> <div id="gmail-m_6519753526132638356x_divtagdefaultwrapper"> <p><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> <p><span style="font-size:12pt;color:black">I tried to compile CP2K and had an error. Could you help me take a look at my problem?<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black">I used CP2K 6.1 with BLAS-3.8.0, LAPACK-3.8.0, SCALAPACK-2.0.2, FFTW-3.3.8, LIBINT-1.1.4, LIBXC-4.3.4, LIBXSMM (master-1.10-931), openMPI-4.0.0.<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> <p><span style="font-size:12pt;color:black">This is the <b>Linux-x86-64-gfortran.popt</b> file:<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black">---------------------------------------------------------<u></u><u></u></span></p> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">CC = gcc<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">CPP =<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">FC = mpif90<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LD = mpif90<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">AR = ar -r<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">FFTW_INC = /home/centos/Phuong/fftw/include<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">FFTW_LIB = /home/centos/Phuong/fftw/lib<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBINT_INC = /home/centos/Phuong/libint/include<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBINT_LIB = /home/centos/Phuong/libint/lib<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBXC_INC = /home/centos/Phuong/libxc/include<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBXC_LIB = /home/centos/Phuong/libxc/lib<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBXSMM_INC= /home/centos/Phuong/libxsmm/include<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBXSMM_LIB= /home/centos/Phuong/libxsmm/lib<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> -D__parallel -D__SCALAPACK<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">CPPFLAGS =<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> -ftree-vectorize -funroll-loops -mtune=native\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LDFLAGS = $(FCFLAGS) -static<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">LIBS = $(SCALAPACK)\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LAPACK)\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(BLAS)\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(FFTW_LIB)/libfftw3.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBXC_LIB)/libxcf03.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBXC_LIB)/libxc.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBINT_LIB)/libderiv.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBINT_LIB)/libint.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBXSMM_LIB)/libxsmmf.a\<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"> $(LIBXSMM_LIB)/libxsmm.a<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">---------------------------------------------------------------------------------------------------------<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal"><b><span style="font-size:12pt;color:black">Env </span></b><span style="font-size:12pt;color:black"><u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">---------------------------------------------------------------------------------------------------------<u></u><u></u></span></p> </div> <div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export PATH=$PATH:/home/centos/Phuong/openmpi/bin<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/centos/Phuong/openmpi/lib<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export IN_CP2K=/home/centos/Phuong<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export LAPACK=/home/centos/Phuong/lapack-3.8.0/liblapack.a <u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export BLAS=/home/centos/Phuong/BLAS-3.8.0/libblas.a <u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">export SCALAPACK=$IN_CP2K/scalapack-2.0.2/libscalapack.a<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">---------------------------------------------------------------------------------------------------------<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">---------------------------------------------------------------------------------------------------------<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black">It raised this error<u></u><u></u></span></p> </div> <div> <p class="MsoNormal"><span style="font-size:12pt;color:black"><img width="478" height="42" style="width: 4.9791in; height: 0.4375in;" id="gmail-m_6519753526132638356x_img266008" src="cid:169b14f34a64cff311"><u></u><u></u></span></p> </div> <p class="MsoNormal"><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> </div> <p class="MsoNormal"><span style="font-size:12pt;color:black">I also attached the output of compiling process below. <u></u><u></u></span></p> </div> <div id="gmail-m_6519753526132638356x_divtagdefaultwrapper"> <p class="MsoNormal"><span style="font-size:12pt;color:black">Thanks for your time.<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> <p><span style="font-size:12pt;color:black"><u></u> <u></u></span></p> <div id="gmail-m_6519753526132638356x_Signature"> <div id="gmail-m_6519753526132638356x_divtagdefaultwrapper"> <p><span style="font-size:12pt;color:black">Regards,<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black">Phuong Nguyen<u></u><u></u></span></p> <p><span style="font-size:12pt;color:black">University of Tartu, Estonia<u></u><u></u></span></p> </div> </div> </div> </div> </div> </div> <p class="MsoNormal">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank">https://groups.google.com/group/cp2k</a>.<br> For more options, visit <a href="https://groups.google.com/d/optout" target="_blank">https://groups.google.com/d/optout</a>.<u></u><u></u></p> </div> </div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank">https://groups.google.com/group/cp2k</a>.<br> For more options, visit <a href="https://groups.google.com/d/optout" target="_blank">https://groups.google.com/d/optout</a>.<br> </blockquote></div>