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<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">OpenBLAS is used by the CP2K toolchain initially just to retrieve the architecture information (CPU type etc.). OpenBLAS is installed later again during the toolchain
run. Check to which OpenBLAS libs CP2K is eventually linked.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
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<b><span style="color:black">From: </span></b><span style="color:black">cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of Supernova <supernovazhangjiaxing@gmail.com><br>
<b>Date: </b>Wednesday, 8 May 2024 at 11:52<br>
<b>To: </b>cp2k <cp2k@googlegroups.com><br>
<b>Subject: </b>[CP2K:20193] Question about --with-openblas<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt">During installing dependencies by toolchain, when I tried to set "--with-openblas" to my own OpenBLAS path, but the script still installs it by it self. How should I fix this problem?<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">version: 2024.1<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">System: Rocky<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">command:<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">./install_cp2k_toolchain.sh \<br>
--with-libxsmm=install \<br>
--with-elpa=install \<br>
--with-libxc=install \<br>
--with-libint=install \<br>
--with-gsl=no \<br>
--with-libvdwxc=no \<br>
--with-spglib=no \<br>
--with-hdf5=no \<br>
--with-spfft=no \<br>
--with-sirius=no \<br>
--with-scalapack=install \<br>
--with-openblas=/opt/OpenBLAS \<br>
--with-fftw=/opt/fftw3310 \<br>
--with-openmpi=/opt/openmpi411<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Output:<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">==================== Getting proc arch info using OpenBLAS tools ====================<br>
wget --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.25.tar.gz<o:p></o:p></p>
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