[CSC 330] Guiding Principles for the Partition
Andrew J. Pounds
pounds at sandbox.mercer.edu
Thu Nov 3 21:23:56 EDT 2022
On the class webpage
http://theochem.mercer.edu/csc330
in the DATA section I have placed numerous charts, graphs, and
visualizations that I built over the past few days. The purpose of the
animation is to convince you that my method is properly properly
describing the gaseous species diffusing "physically" through the room
with a 50% barrier. Furthemore, I have provided snapshots of the gas
diffusing through a room with an msize of 50 and a 75% barrier.
Finally, I have provided a graph of simulated times as a function of
msize for a room with a 50% barrier.
I do not expect you to get the EXACT same simulation time as I do - but
they should be in the ballpark (I would estimate ±5 sec). For the
partition the variability may be greater.
I recommend that for the initial work on the partition you pick your
FASTEST code (actual running time, not simulation time) and use that as
your code to work out the details of the partition. Once you get things
figured our then you can translate that to the other languages. You
may also want to pull out paper and pencil and try to think about where
the partition is located - some 3D work there can go a long way in
helping you figure out how i,j,k are related to x,y,z. I can assure
you I had to do some "paper work" before I built everything on the DATA
page.
As always, keep the questions coming -- but you at least now have target
values to try and reproduce.
--
*/Andrew J. Pounds, Ph.D./*
/Professor of Chemistry and Computer Science/
/Director of the Computational Science Program/
/Mercer University/
/1501 Mercer University Drive, Macon, GA 31207 /
/(478) 301-5627/
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