how to improve CP2K scaling for small systems

labicia lab... at yahoo.it
Thu Mar 20 12:15:06 UTC 2014


Hi!

1) Reducing the cutoff improves the speed but the scaling stays the same.

2) As you suggested, we will try the GAPW method.

3) We are using FFTs in double precision, is this a waste?

Thank you very much,
Marco and Andrea
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