If I make that change (on singularity), I no longer get the ln error, but:<div>error while loading shared libraries: libgfortran.so.5: cannot open shared object file: No such file or directory<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, March 29, 2022 at 2:06:29 PM UTC+2 ASSIDUO Network 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 dir="ltr"><div dir="ltr"><div dir="ltr">For Docker I just did:<div>docker pull cp2k/cp2k<br></div><div>docker run cp2k/cp2k cp2k --version<br></div><div><br></div><div>then I get the error. I tried it on my PCs and two HPC servers.</div><div><br></div><div>Since I am also new to docker and singularity, I don't know quite how to edit that information in the container already, I'll see what I can find.</div></div></div></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Mar 29, 2022 at 12:54 PM Ole Schütt <<a href data-email-masked rel="nofollow">ole.s...@cp2k.org</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">Hi,<div><br></div><div>how exactly did you try to run via Docker?</div><div>Note that the docker image is pretty new and you are one of the first to use it. So any feedback is appreciated.</div><div><br></div><div>> Then when using singularity instead of docker, I get the following error message:</div><div><br></div><div>Unfortunately, I don't have any experience with Singularity. You could try commenting those lines in the <a href="https://github.com/cp2k/cp2k/blob/master/tools/docker/scripts/prod_entrypoint.sh#L17" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/blob/master/tools/docker/scripts/prod_entrypoint.sh%23L17&source=gmail&ust=1648646544905000&usg=AFQjCNH5jUiiGRZI1GlYM0EHJzLUwYbnGA">prod_entrypoint.sh</a> script and instead use the absolute path of the binary.<br></div><div>If that works, I'll move the creation of those symlinks to the build phase (or replace them with aliases).</div><div><br></div><div>-Ole</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, March 27, 2022 at 6:57:12 PM UTC+2 <a href data-email-masked rel="nofollow">lenardc...@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">Hi there, I hope you are doing well. <div><br></div><div>I tried using CP2K via Docker following this <a href="https://hub.docker.com/r/cp2k/cp2k" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://hub.docker.com/r/cp2k/cp2k&source=gmail&ust=1648646544905000&usg=AFQjCNGTDMlWVUr4UoxgnJzIM_poD9cHjg">https://hub.docker.com/r/cp2k/cp2k</a></div><div>but I get the following error message:</div><div>/opt/cp2k/prod_entrypoint.sh: line 20: 443 Illegal instruction "$@"<br></div><div><br></div><div>Then when using singularity instead of docker, I get the following error message:</div><div>ln: failed to create symbolic link '/opt/cp2k/exe/local/cp2k': Read-only file system<br></div><div><br></div><div>Can you help me resolve this? I've been trying to get CP2K working for a month now at my local HPC. I have failed, so I turned to asking help from admin, but they too cannot get it right. So now I am trying to go for a container, but I get the above error messages.</div><div><br></div><div><br></div><div><br></div></blockquote></div>
<p></p></blockquote></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">
-- <br>
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br>
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/F36Lw0ADRmU/unsubscribe" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/topic/cp2k/F36Lw0ADRmU/unsubscribe&source=gmail&ust=1648646544905000&usg=AFQjCNHS-rIZ_5ggW9lrh78FqGiwAlqlLQ">https://groups.google.com/d/topic/cp2k/F36Lw0ADRmU/unsubscribe</a>.<br>
To unsubscribe from this group and all its topics, send an email to <a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/d890a752-00f0-4eaa-8e35-6320a5cd20ban%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/d890a752-00f0-4eaa-8e35-6320a5cd20ban%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1648646544905000&usg=AFQjCNGaMsIAppuj_A749fxPAAm1q22tpw">https://groups.google.com/d/msgid/cp2k/d890a752-00f0-4eaa-8e35-6320a5cd20ban%40googlegroups.com</a>.<br>
</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/d110c243-5214-4f3a-8bc6-fa7c9804e96an%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/d110c243-5214-4f3a-8bc6-fa7c9804e96an%40googlegroups.com</a>.<br />