flags for reducing memory consumption for quickstep and quickstep QM/MM

Axel akoh... at gmail.com
Mon Sep 10 17:32:37 UTC 2007

hi all,

are there any recommendations on how to reduce the memory consumption
cp2k calculations, particularly using QS/GPW and QM/MM with QS/GPW
while maintaining a given level of accuracy?

i'm currently having a couple of inputs that would _almost_ fit into a
machine with
multi-core processors using all cores. right now i have to run using
half the cores
and thus waste a lot of cpu time allocation...


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