libint2 cp2k-3

drahomirko draho... at gmail.com
Tue Mar 29 11:44:04 UTC 2016


forgot to mention that it is CP2K version 3.0 source code revision number: 
svn:16458


On Tuesday, 29 March 2016 09:40:12 UTC+1, drahomirko wrote:
>
> Hi,
>
> I compiled cp2k-3.0 no problem at all. calcs are running fine, all good. 
> the problem occurs when I try to run HF calcs - segfault. when I ran test, 
> all except HF passed. the error message reads that libint not found. before 
> anyone asks, all flags and paths were set correctly. 
>
> I'd appreciate if someone can help me out with this coz after a week 
> trying to have it working I am scratching walls now.
>
> Thanx a mil.
>
> Drahomir
>
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