<div dir="ltr"><p style="color: rgb(0, 0, 0); font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont; font-size: 16px;"><span style="font-size: 12pt;">Hello,</span><br></p><div style="color: black; font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont; font-size: 16px;"><div dir="ltr"><div dir="ltr" id="x_divtagdefaultwrapper" style="font-size: 12pt;"><p><br></p><p>I tried to compile CP2K and had an error. Could you help me take a look at my problem?</p><p>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.</p><p><br></p><p>This is the <b>Linux-x86-64-gfortran.popt</b> file:</p><p>---------------------------------------------------------</p><p></p><div>CC          = gcc</div><div>CPP         =</div><div>FC          = mpif90</div><div>LD          = mpif90</div><div>AR          = ar -r</div><div>FFTW_INC   = /home/centos/Phuong/fftw/include</div><div>FFTW_LIB   = /home/centos/Phuong/fftw/lib</div><div>LIBINT_INC = /home/centos/Phuong/libint/include</div><div>LIBINT_LIB = /home/centos/Phuong/libint/lib</div><div>LIBXC_INC  = /home/centos/Phuong/libxc/include</div><div>LIBXC_LIB  = /home/centos/Phuong/libxc/lib</div><div>LIBXSMM_INC= /home/centos/Phuong/libxsmm/include</div><div>LIBXSMM_LIB= /home/centos/Phuong/libxsmm/lib</div><div>DFLAGS      = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM\</div><div>                       -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\</div><div>                       -D__parallel -D__SCALAPACK</div><div>CPPFLAGS    =</div><div>FCFLAGS     = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\</div><div>              -ftree-vectorize -funroll-loops -mtune=native\</div><div>              -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)</div><div>LDFLAGS     = $(FCFLAGS) -static</div><div>LIBS        = $(SCALAPACK)\</div><div>              $(LAPACK)\</div><div>              $(BLAS)\</div><div>              $(FFTW_LIB)/libfftw3.a\</div><div>              $(LIBXC_LIB)/libxcf03.a\</div><div>              $(LIBXC_LIB)/libxc.a\</div><div>              $(LIBINT_LIB)/libderiv.a\</div><div>              $(LIBINT_LIB)/libint.a\</div><div>              $(LIBXSMM_LIB)/libxsmmf.a\</div><div>              $(LIBXSMM_LIB)/libxsmm.a</div><div>---------------------------------------------------------------------------------------------------------</div><div><br></div><div><b>Env </b></div><div>---------------------------------------------------------------------------------------------------------</div><div><div>export PATH=$PATH:/home/centos/Phuong/openmpi/bin</div><div>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/centos/Phuong/openmpi/lib</div><div>export IN_CP2K=/home/centos/Phuong</div><div>export LAPACK=/home/centos/Phuong/lapack-3.8.0/liblapack.a                        </div><div>export BLAS=/home/centos/Phuong/BLAS-3.8.0/libblas.a                                </div><div>export SCALAPACK=$IN_CP2K/scalapack-2.0.2/libscalapack.a</div><div>---------------------------------------------------------------------------------------------------------</div><div>---------------------------------------------------------------------------------------------------------</div><div><br></div><div>It raised this error</div><div><img data-imagetype="AttachmentByCid" originalsrc="cid:41ee51ed-dcf6-45cd-aa93-a9c9e53786e0" data-custom="AQMkADU2MWRiOTgwLWU0NTgtNGQ4NS1hN2FkLTFmNDdjMTBlYWNiNQBGAAADMZj8HnZNb0yvtUX%2FM3hVBQcAGHYbr9is3k%2Bmeo1PNKB27gAAAgEJAAAAGHYbr9is3k%2Bmeo1PNKB27gABJpHu2wAAAAESABAA8kqQsg9oJUWTNJOhM10D9g%3D%3D" naturalheight="42" naturalwidth="478" src="cid:autoGeneratedInlineImage1" id="x_img266008" data-outlook-trace="F:1|T:1" tabindex="0" size="6254" data-downloadimage="service.svc/s/GetFileAttachment?id=AQMkADU2MWRiOTgwLWU0NTgtNGQ4NS1hN2FkLTFmNDdjMTBlYWNiNQBGAAADMZj8HnZNb0yvtUX%2FM3hVBQcAGHYbr9is3k%2Bmeo1PNKB27gAAAgEJAAAAGHYbr9is3k%2Bmeo1PNKB27gABJpHu2wAAAAESABAA8kqQsg9oJUWTNJOhM10D9g%3D%3D&X-OWA-CANARY=sMb1DjtEuUeflhUUodzy2_BChElNsNYY6ArNa1KLZoogx-PwdL0U-0hjs2F4O3lI-CPA5Lw0RqU." data-thumbnailimage="https://attachments.office.net/owa/phuong.nguyen@ut.ee/service.svc/s/GetFileAttachment?id=AQMkADU2MWRiOTgwLWU0NTgtNGQ4NS1hN2FkLTFmNDdjMTBlYWNiNQBGAAADMZj8HnZNb0yvtUX%2FM3hVBQcAGHYbr9is3k%2Bmeo1PNKB27gAAAgEJAAAAGHYbr9is3k%2Bmeo1PNKB27gABJpHu2wAAAAESABAA8kqQsg9oJUWTNJOhM10D9g%3D%3D&X-OWA-CANARY=sMb1DjtEuUeflhUUodzy2_BChElNsNYY6ArNa1KLZoogx-PwdL0U-0hjs2F4O3lI-CPA5Lw0RqU.&token=eyJhbGciOiJSUzI1NiIsImtpZCI6IjA2MDBGOUY2NzQ2MjA3MzdFNzM0MDRFMjg3QzQ1QTgxOENCN0NFQjgiLCJ4NXQiOiJCZ0Q1OW5SaUJ6Zm5OQVRpaDhSYWdZeTN6cmciLCJ0eXAiOiJKV1QifQ.eyJ2ZXIiOiJFeGNoYW5nZS5DYWxsYmFjay5WMSIsImFwcGN0eHNlbmRlciI6Ik93YURvd25sb2FkQDZkMzU2MzE3LTBkMDQtNGFiYy1iNmI2LThjOTc3Mzg4NWJiMCIsImFwcGN0eCI6IntcIm1zZXhjaHByb3RcIjpcIm93YVwiLFwicHJpbWFyeXNpZFwiOlwiUy0xLTUtMjEtNDc2MjQwNzc4LTI3NjM2MzMyMTItMjIwNTM2MzkxMi0xMDE0OTE5NFwiLFwicHVpZFwiOlwiMTE1Mzk3NzAyNTYzOTAyMDg1MlwiLFwib2lkXCI6XCIzMmRmNmUyZS04MjUzL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