[CP2K:7353] libint cp2k flag inconsistencies

S Ling lingsa... at gmail.com
Mon Jan 18 18:17:52 CET 2016


Hi

The setting in the toolchain is correct. Please have a look at the
instruction in $CP2K/cp2k/tools/hfx_tools/libint_tools/README_LIBINT.

SL


On 18 January 2016 at 16:14, Johannes Wagner <johanne... at gmail.com>
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
> -D__LIBINT_MAX_AM and -D__LIBDERIV_MAX_AM1..."
>
> 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
>
> -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5
>
> which are both one up. Shall this be corrected?
>
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