libint2 cp2k-3

Sergey Chulkov sergeya... at
Tue Mar 29 10:49:21 UTC 2016

Dear Drahomir,

which flags did you use in order to compile cp2k against libint2? As far as 
I understand, at the present stage cp2k does not support libint2 at all due 
to missed fortran wrapper module.

Best wishes,

On Tuesday, March 29, 2016 at 9:40:12 AM 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: <>

More information about the CP2K-user mailing list