Box Size and Memory

James Dean jrd... at
Wed Jul 18 20:22:51 UTC 2018


In a nonperiodic calculation, what is the expected relation between box 
size and memory consumption? I would expect that it would be higher, since 
there is more space to account for, but how significant should I expect 
this effect to be compared to other things such as the number of atoms in 
the system and the number of multigrids used?

Thank you!
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