<div dir="ltr"><div dir="ltr">Hi,<div><br></div><div>Thank you for your reply. I understand the situation.</div><div>For now, I mainly use it on my PC, so maybe the two packages are no needed.</div><div><br></div><div>Thank you again.</div><div>Sincerely</div><div><br></div><div><br><br><br><br><div id="mt-signature">
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</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Антон Л. <<a href="mailto:tenebrosu...@gmail.com">tenebrosu...@gmail.com</a>> 于2020年6月14日周日 上午4:32写道：<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 dir="ltr"><div><div><div><div>Hi,<br><br></div>first of all, please decide if you really need ScaLAPACK -- or, more generally, if you really need MPI parallelization at all (AFAIK both ScaLAPACK and ELPA depend on MPI). If you plan to run CP2K on a single regular desktop, then you can safely avoid MPI employing only OpenMP parallelization -- I wonder if you could gain any performance profit via MPI over OpenMP.<br><br></div>If so, just disable MPI by running ./install_cp2k_toolchain.sh --mpi-mode=no<br><br></div>Otherwise, if you believe that you indeed want MPI parallelization, e.g. you intend to run the code on a cluster node or on a few desktops connected by network, then you should enter build/scalapack-2.0.2 subfolder and inspect all files with .log extension. Details of any errors should be reported there.<br><br></div><div>Hope this helps.<br></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Am Fr., 12. Juni 2020 um 21:44 Uhr schrieb Jiayu Sun SLE <<a href="mailto:sunjia...@gmail.com" target="_blank">sunjia...@gmail.com</a>>:<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 dir="ltr">Hi Anton<div>Thank you for your kindly help and patience.</div><div><br></div><div>Now, I installed some packages and rerun the sh script and almost all the packages are installed, then the code skips, but only two packages shows error message, I print here:</div><div><br></div><div><div>==================== Installing ScaLAPACK ====================</div><div>scalapack-2.0.2.tgz is found</div><div>Installing from scratch into /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/scalapack-2.0.2</div><div>ERROR: (./scripts/install_scalapack.sh, line 47) Non-zero exit code detected.</div><div>==================== Installing ELPA ====================</div><div>elpa-2019.05.001.tar.gz is found</div><div>Installing from scratch into /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001</div><div>ERROR: (./scripts/install_elpa.sh, line 84) Non-zero exit code detected.</div><div>Step ptscotch took 0.00 seconds.</div><div>Step parmetis took 0.00 seconds.</div><div>Step metis took 0.00 seconds.</div><div>Step superlu took 0.00 seconds.</div><div>Step pexsi took 0.00 seconds.</div><div>Step quip took 0.00 seconds.</div><div>Step plumed took 0.00 seconds</div><div><br></div>I tried to install Scalapack by myself, before that, the packages of blas, lapcak, cblas are all installed successfully, but the installation of Scalapack failed eventually.</div><div>It's a tough way, now only two packages left, can you give me some advice?</div><div><br></div><div>Thank you so much!!</div><div><br></div><div><br></div><div>在 2020年6月11日星期四 UTC+9下午12:08:21，Jiayu Sun SLE写道：<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Hi, everyone,</div><div>I have tried compiled the <span style="color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px">cp2k 7.1 version from toolchain script, the *sh file, and using the OpenBLAS 0.3.6, the error message are listed below:</span></div><div><span style="color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px"><br></span></div><div><p style="margin-top:1em;margin-bottom:1em;line-height:normal;color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px">==================== Installing OpenBLAS ====================<br>OpenBLAS-0.3.6.tar.gz is found<br>Installing from scratch into /home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/install/openblas-0.3.6<br>patching file kernel/x86_64/KERNEL.SKYLAKEX<br>ERROR: (/home/jiayusun/Downloads/cp2k-7.1/tools/toolchain/scripts/install_openblas.sh, line 72) Non-zero exit code detected.<br>ERROR: (./scripts/install_mathlibs.sh, line 34) Non-zero exit code detected.</p><p style="margin-top:1em;margin-bottom:1em;line-height:normal;color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px"><br></p><p style="margin-top:1em;margin-bottom:1em;line-height:normal;color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px">How can I do this in this case?<br>What the meaning of this sentence: "Non-zero exit code detected." When I compile other packages, this error occurs again, almost all the packages are facing the same problem.</p><p style="margin-top:1em;margin-bottom:1em;line-height:normal;color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px">Thank you for your help or advice.</p><p style="margin-top:1em;margin-bottom:1em;line-height:normal;color:rgb(36,41,46);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI",Helvetica,Arial,sans-serif,"Apple Color Emoji","Segoe UI Emoji";font-size:14px">Sincerely</p></div></div></blockquote></div></div>
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