<div dir="ltr"><div>Thank you very much for your help!</div><div>I am looking into that!<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jan 17, 2023 at 3:19 PM Alfio Lazzaro <<a href="mailto:alfio.lazzaro@gmail.com">alfio.lazzaro@gmail.com</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">Well, there was a discussion around this problem here:<div><br></div><div><a href="https://github.com/cp2k/cp2k/issues/2455" target="_blank">https://github.com/cp2k/cp2k/issues/2455</a></div><div><a href="https://github.com/cp2k/cp2k/issues/2074" target="_blank">https://github.com/cp2k/cp2k/issues/2074</a><br></div><div><br></div><div>Maybe your threads are not running over multiple cores, so you get contention...</div><div><br></div><div><br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno martedì 17 gennaio 2023 alle 13:29:59 UTC+1 <a href="mailto:sebm...@gmail.com" target="_blank">sebm...@gmail.com</a> ha scritto:<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>Many thanks for the answer.</div><div>Removing the enable-opencl flag I was able to install cp2k without any issue.</div><div><br></div><div>I then ran the make test tool. No test failed but many timed out. What should one do in this case? I attached a screenshot.<br></div></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jan 17, 2023 at 11:22 AM Alfio Lazzaro <<a rel="nofollow">alfio....@gmail.com</a>> wrote:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">You don't need to enable opencl since you have cuda, so drop the flag `-enable-opencl`. You don't need to build DBCSR, only ./install_cp2k_toolchain.sh <div><br></div><div>Alfio<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno lunedì 16 gennaio 2023 alle 16:24:47 UTC+1 <a rel="nofollow">sebm...@gmail.com</a> ha scritto:<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>Hi There! I am trying to install cp2k local_cuda psmp on a machine with NVidia RTX A4000 and intel core i9 10900F CPU. <br></div><div><br></div><div>I just downloaded cp2k using git today from the master branch.</div><div><br></div><div>I used ./install_cp2k_toolchain.sh --with-openmpi --with-openblas --enable-cuda --gpu-ver=V100 --enable-opencl --with-cmake=system --with-libxc --with-pexsi=no --with-ptscotch=no --with-superlu=no --with-quip --with-plumed --with-elpa=no --with-sirius=no --with-libxsmm and everything went smooth. I followed directions as given.</div><div><br></div><div>During make, I get this error.<br></div><div>See screenshot 17-15-07 please.</div><div><br></div><div>So I figured I'd go into exts folder and use cmake and then make on dbcsr. </div><div>I used "cmake .. -DUSE_ACCEL=cuda -DWITH_CUDA_PROFILING=ON -DWITH_GPU=V100" and then "make".</div><div><br></div><div>It stopped at about 80%, and looked like this, see Screenshot 2023-01-16 17-17-32. <br></div><div><br></div><div>Can anyone suggest any reason for it?</div><div><br></div><div>I also attach the arch file obtained from cp2k. I figured if I manage to correctly install dbcsr, then cp2k installation will work too.</div><div><br></div><div>Best,</div><div>Sebastian<br></div><div><br></div></blockquote></div>
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