[CP2K-user] CPASSERT failed

[Václav Havel]

Hi
Have you solved this problem?
I also meet that  CPASSERT failed

Best regards
Vaclav

在2019年11月20日星期三 UTC+8 上午2:10:47<dia... at gmail.com> 写道：

> Hello all 
>
> Following the tutorial QM/MM , cp2k won’t pass the vnt equilibration step. 
> The run doesn’t start and stop with the error: 
>
> *******************************************************************************
>  *   ___                                                                  
>      *
>  *  /   \                                                                  
>     *
>  * [ABORT]                                                                
>      *
>  *  \___/                             CPASSERT failed                      
>     *
>  *    |                                                                    
>     *
>  *  O/|                                                                    
>     *
>  * /| |                                                                    
>     *
>  * / \                                                    
> topology_input.F:493 *
>
>  *******************************************************************************
>
>
>  ===== Routine Calling Stack =====
>
>             4 topology_control
>             3 fist_init
>             2 fist_create_force_env
>             1 CP2K
>
> It seems there is something wrong with the topology file. The system, 
> however, did pass the minimization step. 
> Attached are the input and output files.
> Nvt.inp: 
> https://drive.google.com/file/d/1olFLbnxFy55jaNzqeJgVWgpueveDmuP0/view?usp=sharing
> Nvt.out: 
> https://drive.google.com/file/d/1czMB42IXQXi06QBRlqXDGpBZbJMkej2E/view?usp=sharing
>
> complex.prmtop: 
> https://drive.google.com/file/d/1uT2pphXWRK4wG8LOvLIRnWXriWEnbb1K/view?usp=sharing
> complex.inpcrd: 
> https://drive.google.com/file/d/1sjn8YFekQ96vjR93PJYPClNFkXW_pBtl/view?usp=sharing
>
>
> Any help will be appreciated.
> Best regards
>
>
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