Box Size and Memory
James Dean
jrd... at pitt.edu
Wed Jul 18 20:22:51 UTC 2018
Hello,
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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