[CP2K-user] [CP2K:22191] Duplicate metadynLog output value

[Jeffery Pang]

Hi,

I am running a WT-MetaD QM/MM calculation with CP2K (version 2024.3), and I 
encountered an issue with duplicated bias output in the metadynLog file.

In my setup, I use OMP_NUM_THREADS=8 and SRUN_CPUS_PER_TASK=16

The collective variable is simply the distance between two atoms. However, 
at each step, the bias potential appears multiple times in the output, as 
if it were being written more than once.

I am wondering whether this could be a known issue, or if it might be due 
to an error in my compilation or runtime configuration.

Any suggestions or insights would be greatly appreciated.

Best regards,
Jeffery

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