[CP2K-user] [CP2K:18788] Re: A error in the process of restarting meta-dynamic

Marcella Iannuzzi marci.akira at gmail.com
Wed May 10 07:32:17 UTC 2023

Dear ?

Without additional information it is hard to guess what the problem is. 
Apparently the program expects to read data from the restart file, that are 
instead missing.
Anyway changing the type and number of collective variables along a 
metadynamics run is not correct in principle.

On Tuesday, May 9, 2023 at 3:38:29 PM UTC+2 廉永健(lianyongjian) wrote:

> Dear all
> Recently, I am trying to study the potential energy surface of reaction by 
> meta-dynamic. When I add a new colvar and corresponding COLLECTIVE section 
> to input file and restart file, and run the restart calculation, the 
> program reports an error with the error content being 'tried to go past 
> end'. Why? How should I solve this error. Thans for your time and patience.

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