how to improve CP2K scaling for small systems

labicia lab... at
Mon Mar 24 10:53:33 UTC 2014


We have tried both threaded and non-threaded libraries. There is no 

We have new evidences that the problem responsible for the "bad" incore 
scaling behavior is the limited RAM-cache-processor communication:
using a single-channel RAM configuration to run the ZIF8 system we get a 
slow down of 30% with respect to a dual-channel set up (for the same 
For this reason, in our future purchases we will move to quad-channel RAM 

If someone has already a quad-channel system, he can try to study the CP2K 
scaling against number of RAM channels.

Best regards,
Marco and Andrea
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