[CP2K:7353] libint cp2k flag inconsistencies

Michael Banck mba... at debian.org
Mon Jan 18 16:18:34 UTC 2016


On Mon, Jan 18, 2016 at 08:14:00AM -0800, Johannes Wagner wrote:
> sorry to bother with the next toolchain issue: the cp2k install HOWTO on 
> libint says 
> "... hardcoded to the default angular momentum LIBINT_MAX_AM 5 
> now libint in the toolchain installer compiles with
> --with-libint-max-am=5 --with-libderiv-max-am1=4
> but the cp2k flags are set to 
> which are both one up. Shall this be corrected?

Check the config.h or libint-config.h that you get from configure.  If I
remember correctly, the one-off is intentional and the defined
__LIBINT_MAX_AM values etc. are one larger than what you pass to

I haven't checked myself now, though.


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