how to improve CP2K scaling for small systems

labicia lab... at
Tue Mar 18 10:46:57 UTC 2014

please find attached the file containing the scaling behavior in a single 
machine with 4 processors:
1 MPI 
4 MPI (one MPI per different processor)
8 MPI (two MPI per processor)
16 MPI (saturated)
please note that there is no network communications because the processors 
are all on the same motherboard.

Currently our multi node cluster with InfiniBand interconnections is down, 
but we can assure that scaling across nodes is linear. 

The non-linear scaling within a single node is what concern us! (It seems a 
waste of resources) 

Best regards
Marco and Andrea

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