[CP2K-user] [CP2K:21842] CPASSERT failed motion/thermostat/thermostat_utils.F:1846

['Hemanth Haridas' via cp2k]

Dear all,

I am trying to run an AIMD run with a poly-oxo anion and water in CP2K, and 
I get a "CPASSERT failed motion/thermostat/thermostat_utils.F:1846" error 
immediately after the first SCF cycle. Any suggestions on how to fix this 
would be highly appreciated. 

Note: I was able to run the a slightly different system (same atoms, but a 
different connectivity in the poly-oxo anion) successfully before.

Thanks,
Hemanth

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