[CP2K-user] CINEB memory usage is too high

yulei wang mada... at gmail.com
Thu Oct 15 06:37:45 UTC 2020


 I want to ask that is it normal for NEB calculations to use more than 
190GB of memory? 

I inserted 5 REPLICAs (including initial state and final state) when 
calculating the transition state, and then the calculation process was 
interrupted due to memory overflow. In this case, how should I set it to 
reduce memory usage?

Thanks very much!

Best Regards,
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