[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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