[CP2K-user] [CP2K:16276] Out of memory for NVE calculation

[Jonas Rutgers]

Hello all,

I am trying to run a NVE for my system, but the calculation breaks down 
after only 320 steps with error shown in the attached file. The system 
seems to run out of memory during the calculation rather quickly and 
accumulates memory with each md step. Is there is way to reduce the amount 
of memory needed during the calculation?

I have also attached my inputfile for the 631 atom system.

Best regards,
Jonas

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