libint2 cp2k-3

[drahomirko]

Thanx Sergey for hints. Works like charm (not charmm :) ) now. few wrong 
results in tests, but those are related rather to machine precision and 
compiler flags I set ( ifort -fma for example). 

Drahomir

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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160330/4b84c3d4/attachment.htm>