[CP2K:10268] libint error for HFX (error: CP2K and libint were compiled with different LIBINT_MAX_AM)

[Daniele Fontanari]

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

Il giorno lunedì 7 maggio 2018 10:54:02 UTC+2, Tiziano Müller ha scritto:
>
> 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: 
>
>    https://sourceforge.net/projects/cp2k/files/precompiled/ 
>
> Best regards, 
> Tiziano 
>
> [1] 
>
> https://packages.debian.org/search?keywords=cp2k&searchon=names&suite=all&section=all 
> -- 
> Tiziano Müller 
> University of Zurich 
> Department of Chemistry 
> Winterthurerstrasse 190 
> CH-8057 Zürich 
>
> Tel: +41 44 63 54234 
> www.chem.uzh.ch 
> tizia... at chem.uzh.ch <javascript:> 
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180507/623c738c/attachment.htm>