[CP2K-user] [CP2K:20532] Re: CPASSERT in topology while running metadynamic

Marcella Iannuzzi marci.akira at gmail.com
Sun Aug 4 10:18:04 UTC 2024


Hi Pierre,

Apparently, no atoms of the kind specified in the CV definition have been 
found.
Regards
Marcella

On Sunday, August 4, 2024 at 11:35:45 AM UTC+2 pier... at gmail.com wrote:

> Hi, 
>
> I'm trying to perform a metadynamic using 3 collectives variables. 
> However, I get a CPASSERT error coming from colvar_utils.F:611. Input and 
> output are provided here: 
> https://gist.github.com/pierre-24/8eb85ba711c3c992d00a169d2cd066a0
>
> Anyone has an idea? Thanks in advance :)
>
> Pierre
>

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