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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Hi Phuong Nguyen<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="font-size:12.0pt;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.
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="font-size:12.0pt;color:black">Matthias</span><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><b>Von:</b> cp...@googlegroups.com <...@googlegroups.com> <b>
Im Auftrag von </b>Phuong Nguyen<br>
<b>Gesendet:</b> Sonntag, 24. März 2019 12:43<br>
<b>An:</b> cp2k <...@googlegroups.com><br>
<b>Betreff:</b> [CP2K:11474] Error when compiling CP2K 6.1 ver popt<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p><span style="font-size:12.0pt;color:black">Hello,<o:p></o:p></span></p>
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<p><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p><span style="font-size:12.0pt;color:black">I tried to compile CP2K and had an error. Could you help me take a look at my problem?<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;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.<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p><span style="font-size:12.0pt;color:black">This is the <b>Linux-x86-64-gfortran.popt</b> file:<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;color:black">---------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">CC = gcc<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">CPP =<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">FC = mpif90<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LD = mpif90<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">AR = ar -r<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">FFTW_INC = /home/centos/Phuong/fftw/include<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">FFTW_LIB = /home/centos/Phuong/fftw/lib<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBINT_INC = /home/centos/Phuong/libint/include<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBINT_LIB = /home/centos/Phuong/libint/lib<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBXC_INC = /home/centos/Phuong/libxc/include<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBXC_LIB = /home/centos/Phuong/libxc/lib<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBXSMM_INC= /home/centos/Phuong/libxsmm/include<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBXSMM_LIB= /home/centos/Phuong/libxsmm/lib<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> -D__parallel -D__SCALAPACK<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">CPPFLAGS =<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> -ftree-vectorize -funroll-loops -mtune=native\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LDFLAGS = $(FCFLAGS) -static<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">LIBS = $(SCALAPACK)\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LAPACK)\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(BLAS)\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(FFTW_LIB)/libfftw3.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBXC_LIB)/libxcf03.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBXC_LIB)/libxc.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBINT_LIB)/libderiv.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBINT_LIB)/libint.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBXSMM_LIB)/libxsmmf.a\<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"> $(LIBXSMM_LIB)/libxsmm.a<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">---------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span style="font-size:12.0pt;color:black">Env </span></b><span style="font-size:12.0pt;color:black"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">---------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export PATH=$PATH:/home/centos/Phuong/openmpi/bin<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/centos/Phuong/openmpi/lib<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export IN_CP2K=/home/centos/Phuong<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export LAPACK=/home/centos/Phuong/lapack-3.8.0/liblapack.a <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export BLAS=/home/centos/Phuong/BLAS-3.8.0/libblas.a <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">export SCALAPACK=$IN_CP2K/scalapack-2.0.2/libscalapack.a<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">---------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">---------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">It raised this error<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><img width="478" height="42" style="width:4.9791in;height:.4375in" id="x_img266008" src="cid:image001.png@01D4E24B.606540A0"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">I also attached the output of compiling process below. <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Thanks for your time.<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
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<p><span style="font-size:12.0pt;color:black">Regards,<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;color:black">Phuong Nguyen<o:p></o:p></span></p>
<p><span style="font-size:12.0pt;color:black">University of Tartu, Estonia<o:p></o:p></span></p>
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