[CP2K-user] CINEB memory usage is too high

[yulei wang]

Hi.

 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,
Wang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201014/2b3bb3f5/attachment.htm>