[CSC 435] Dusty in C
Andrew J. Pounds
pounds_aj at mercer.edu
Thu Feb 8 18:35:03 EST 2024
After a lot of thought I am going to do something this year that I have
never done before. Since I don't want you to spend your entire weekend
trying to get the Dusty code in C to give correct results (as I far know
nobody has this working yet), I am going to give you a numerically
correct working version in C. It is not segmented -- but you can fix
that without too much work.
In class tomorrow I will provide you with two different ways to do
multidimensional dynamic allocation in C with an addendum for the best
performance in C++.
I will then, after class, provide you with a link to get my version of
dusty.c that you can then start trying to optimize. It is FULL of
pointer arithmetic.
I want to stress that you could, theoretically, write dusty using the
stack (compile time allocation) vs the heap (run-time dynamic
allocation) - but by default the OS is going to limit the amount of
memory you can access. You can turn this off with some unix commands,
but it is generally unsafe. I honestly think that dusty, with a MAXDIM
of 50, will run fine if you want to use stack memory allocation
semantics in your code. The problem is that to see if you code
optimization changes are doing anything you generally have to increase
the size of MAXDIM to well above 50 -- and that usually causes a stack
overflow. Use at your own risk.
--
*Andrew J. Pounds, Ph.D.*
/Professor of Chemistry and Computer Science/
/Director of the Computational Science Program/
/Mercer University, Macon, GA, 31207 (478) 301-5627 /
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://theochem.mercer.edu/pipermail/csc435/attachments/20240208/d496da59/attachment.html>
More information about the csc435
mailing list