[molpro-user] Making tuning after Molpro installation

Sve N goretoffel at hotmail.de
Fri May 24 12:58:09 BST 2013

Dear Andy May,
but what, if the calculations are not usually done with a specific, but rather very different setups? Should I use some kind of mean cpu-count, or better the lowest used one? Is it better to use the lowest parameters, from runs in different setups, or the highest? I noticed, that they change quite a bit, even for different compilations. And when tuning, I used a machine, which is not doing anything else (I even set the cpu governors to performance), which won't happen very often, later, when using molpro productively.
Thanks, Sven
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