<div dir="ltr">Hi, thank you both for the answer Luckily I managed to recompile cp2k by myself using the provided toolchain tools and it works fine I don't want, for the moment, to ask the admins to reinstall cp2k from package because I am using it now and I am a bit afraid of it breaking. Obviously I do not think that cp2k here is at fault, but I'm pretty convinced that libint was installed only because of cp2k, so maybe the mantainers just have to try to fix the comilation (and maybe test something like H2O-hybrid-pbe0.inp) best regards Daniele <div class="file-navigation"> </div> Il giorno lunedì 7 maggio 2018 10:54:02 UTC+2, Tiziano Müller ha scritto:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Daniele On 03.05.2018 19:20, Daniele Fontanari wrote: [...]> $dpkg-query -l | grep -e "libint" -e "cp2k" > ii cp2k > 4.1-1+b1 amd64 Ab Initio Molecular Dynamics > ii cp2k-data > 4.1-1 all Ab Initio Molecular > Dynamics (data files) > ii libint1 > 1.1.6-2+b1 amd64 Evaluate the integrals in > modern atomic and molecular theory [...]> I was wondering if the error is known/fixed (I really think that the > admins just installed cp2k without compiling it by hand through the > package manager) so it might be sufficient to re-download it or if there > is a possible workaround? Re-downloading/-installing will not help unfortunately since this is an inconsistency at compilation level and based on [1] you already have the latest version of the CP2K package for Debian Stretch/Stable installed. This seems to be an inconsistency in the Debian CP2K package, therefore CC'ing the Debian package maintainer. In the meanwhile, you should be able to use the pre-compiled (single-node) packages for testing: <a href="https://sourceforge.net/projects/cp2k/files/precompiled/" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fsourceforge.net%2Fprojects%2Fcp2k%2Ffiles%2Fprecompiled%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHyEBvl9gyBPacGS50aPcgPkjqn0g';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fsourceforge.net%2Fprojects%2Fcp2k%2Ffiles%2Fprecompiled%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHyEBvl9gyBPacGS50aPcgPkjqn0g';return true;">https://sourceforge.net/projects/cp2k/files/precompiled/</a> Best regards, Tiziano [1] <a href="https://packages.debian.org/search?keywords=cp2k&searchon=names&suite=all&section=all" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fpackages.debian.org%2Fsearch%3Fkeywords%3Dcp2k%26searchon%3Dnames%26suite%3Dall%26section%3Dall\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNH_0m0GaIzj3JeqCAP0oVv6rbw6gw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fpackages.debian.org%2Fsearch%3Fkeywords%3Dcp2k%26searchon%3Dnames%26suite%3Dall%26section%3Dall\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNH_0m0GaIzj3JeqCAP0oVv6rbw6gw';return true;">https://packages.debian.org/search?keywords=cp2k&searchon=names&suite=all&section=all</a> -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;">www.chem.uzh.ch</a> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="G-iPQY2aAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">tizia...@chem.uzh.ch</a> </blockquote></div>