[CP2K:7353] libint cp2k flag inconsistencies

Johannes Wagner johanne... at gmail.com
Mon Feb 1 18:42:50 CET 2016


thanks, saw it! Yet it is confusing at first ;)

On Monday, January 18, 2016 at 6:17:55 PM UTC+1, S Ling wrote:
>
> 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 <johan... at gmail.com 
> <javascript:>> 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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>
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