I recommend everyone use linux build just update the destro and install using git. <a href="https://bit.ly/3F6CGvV">Contact here</a> If you got Any issues.<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, 18 October 2022 at 15:56:45 UTC+8 Alfio Lazzaro wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hello Jerry,<div>I'm glad that you get CP2K to compile.</div><div><br></div><div>For completeness:</div><div>1. You always need `--recursive` when using `git clone`, i.e. `git clone -b support/v2022.2 --recursive <a href="https://github.com/cp2k/cp2k.git" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k.git&source=gmail&ust=1666167473910000&usg=AOvVaw1vSsp5BGQ1xm_v0rXbsFA0">https://github.com/cp2k/cp2k.git</a> cp2k`. If you miss the flag (like in your case), then the solution is to use `git submodule update --init --recursive`, as you did</div><div><br></div><div>2. As stated at <a href="https://github.com/cp2k/cp2k/blob/master/INSTALL.md#1-acquire-the-code" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k/blob/master/INSTALL.md%231-acquire-the-code&source=gmail&ust=1666167473910000&usg=AOvVaw3NtOewecTKFnCHX7G_Wz3S">https://github.com/cp2k/cp2k/blob/master/INSTALL.md#1-acquire-the-code</a>, you have to download the cp2k-X.Y.tar.bz2 file. The .zip version is broken (it misses the submodules, as you found)<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno lunedì 17 ottobre 2022 alle 22:10:42 UTC+2 <a href data-email-masked rel="nofollow">jerryt...@gmail.com</a> ha scritto:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>Hi Alfio,</div><div>I finally figured it out. Each time I got the DBCSR error, I got the message:</div><div><br></div><div>/cluster/home/tanoury/CP2K/cp2k-2022.2_Intel/exts/Makefile.inc:2: *** "No DBCSR submodule available, please run 'git submodule update --init --recursive'". Stop.</div><div><br></div><div>When compiling cp2k from cp2k-2022.2.zip, running 'git submodule update --init --recursive' did not work, even though that was the error message. <br></div><div>When compiling cp2k from 'git clone -b support/v2022.2 <a href="https://github.com/cp2k/cp2k.git" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k.git&source=gmail&ust=1666167473910000&usg=AOvVaw1vSsp5BGQ1xm_v0rXbsFA0">https://github.com/cp2k/cp2k.git</a> cp2k-2022.2_Intel', running 'git submodule update --init --recursive' worked. <br></div><div><br></div><div>It seems the error message is the same whether cp2k is compiled from the unpackaged zip file or from git download. However, the update ONLY WORKS for the git download.</div><div><br></div><div>Jerry<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, October 17, 2022 at 3:18:31 PM UTC-4 <a rel="nofollow">jerryt...@gmail.com</a> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>Dear Alfio,</div><div>I downloaded CP2K via git as follows:</div><div><br></div><div>git clone -b support/v2022.2 <a href="https://github.com/cp2k/cp2k.git" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k.git&source=gmail&ust=1666167473910000&usg=AOvVaw1vSsp5BGQ1xm_v0rXbsFA0">https://github.com/cp2k/cp2k.git</a> cp2k-2022.2_Intel</div><div><br></div><div>I then cd to cp2k-2022.2_Intel and ran:</div><div><br></div><div>"source arch/Linux-intel-x86_64-tanoury.psmp" using the arch file I attached previously.</div><div><br></div><div>Please see the attached log file for the compile details.<br></div><div><br></div><div>Kindest regards,</div><div>Jerry<br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, October 17, 2022 at 4:06:04 AM UTC-4 Alfio Lazzaro wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Jerry,<div>Could you confirm how you are downloading CP2K? >From the message "fatal: Not a git repository (or any parent up to mount point /cluster)" I assume you are not using git. Please, check the instructions at:</div><div><br></div><div><a href="https://github.com/cp2k/cp2k#downloading-cp2k-source-code" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k%23downloading-cp2k-source-code&source=gmail&ust=1666167473910000&usg=AOvVaw3NrSLARfG4GhasIbTD0b9i">https://github.com/cp2k/cp2k#downloading-cp2k-source-code</a></div><div><a href="https://github.com/cp2k/cp2k/blob/master/INSTALL.md" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://github.com/cp2k/cp2k/blob/master/INSTALL.md&source=gmail&ust=1666167473910000&usg=AOvVaw3iYJKfHTQ9MP4rxLVamRzZ">https://github.com/cp2k/cp2k/blob/master/INSTALL.md</a><br></div><div><br></div><div>Basically, you can use the versioned tarballs, cp2k-X.Y.tar.bz2 or "git clone --recursive".</div><div><br></div><div>Alfio<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno domenica 16 ottobre 2022 alle 23:09:59 UTC+2 <a rel="nofollow">jerryt...@gmail.com</a> ha scritto:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Oops, here's the arch file that I sourced.<div><br></div><div><br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, October 16, 2022 at 4:50:19 PM UTC-4 <a rel="nofollow">jerryt...@gmail.com</a> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi Alfio,<div>I started over and compiled CP2K by sourcing the attached arch file, slightly modified from the original. However, I got a DBCSR error:</div><div><br></div><div>$ make -j 8 ARCH=Linux-intel-x86_64-tanoury VERSION=psmp<br>Discovering programs ...<br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel/exts/Makefile.inc:2: *** "No DBCSR submodule available, please run '$ make -j 8 ARCH=Linux-intel-x86_64-tanoury VERSION=psmp<br>Discovering programs ...<br>/cluster/home/tanoury/CP2K/cp2k-2022.1_Intel/exts/Makefile.inc:2: *** "No DBCSR submodule available, please run 'git submodule update --init --recursive'". Stop.<br>make[1]: *** [psmp] Error 2<br>make: *** [all] Error 2<br>". Stop.<br>make[1]: *** [psmp] Error 2<br>make: *** [all] Error 2<br><br></div><div>I ran 'git submodule update --init --recursive' from the cp2k home directory and in the dbcsr directory, but got the same message shown below:</div><div>cd</div><div>fatal: Not a git repository (or any parent up to mount point /cluster)<br>Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set).<br></div><div><br></div><div>This was the reason why I was build DBCSR separately. How do I fix this?</div><div><br></div><div>Kind regards,</div><div>Jerry</div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, October 8, 2022 at 10:22:52 AM UTC-4 <a rel="nofollow">jerryt...@gmail.com</a> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi Alfio,<div>Thank you. I found the problem.</div><div><br></div><div>Jerry<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, September 29, 2022 at 5:26:06 AM UTC-4 Alfio Lazzaro wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">DBCSR is part of CP2K as a submodule and it is fully integrated in the CP2K compilation. You don't need to build it separately. So just compile CP2K and it will automatically compile DBCSR too.<div><br></div><div>Alfio<br><div><br></div><div><br><br></div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno mercoledì 28 settembre 2022 alle 19:29:25 UTC+2 <a rel="nofollow">jerryt...@gmail.com</a> ha scritto:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>Dear Forum,</div><div>I am building CP2K 2022.1 with Intel 2021.3 compilers and MKL using the toolchain. After the toolchain built the arch files, I then went to build dbcsr following the directions on your website. I used the following for cmake:</div><div><br></div><div><br>cmake -DUSE_SMM=libxsmm -DUSE_ACCEL=cuda -DWITH_GPU=V100 -DCMAKE_HAVE_LIBC_PTHREAD=/usr/include -DBLA_VENDOR=Intel10_64lp_seq ..</div><div><br></div><div>However, during I got the following error:</div><div>-- Performing Test f95-reshape-order-allocatable - Success<br>CMake Error at cmake/fypp-sources.cmake:9 (message):<br> Failed to find the FYPP preprocessor.<br>Call Stack (most recent call first):<br> src/CMakeLists.txt:3 (include)<br><br><br>-- Configuring incomplete, errors occurred!</div><div><br></div><div>Please provide guidance on how to fix this.</div><div><br></div><div>Best regards,<br>Jerry<br></div><div><br></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div></blockquote></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/a14ad1a0-c3f3-46da-aaec-51aa9444172bn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/a14ad1a0-c3f3-46da-aaec-51aa9444172bn%40googlegroups.com</a>.<br />