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<font face="serif">Yesterday I finished going through all of the
code sent to me for project 1. My basic process of grading these
was to build a series of nmr.in files that test your programs on a
series of data files using different techniques and methods. 75%
of the programs submitted to me did not run to completion on
anything except the small dataset that I gave you. According to
my grading practices that would get you a maximum of a 50% for the
code.<br>
<br>
Those codes that did run to completion on my test sets had some
minor issues with the results. I also know that some of you
have made significant progress on Project 2 (even though there are
issues with project 1). Because I want everyone to do well, get
credit for what you have done, and for this to be a good learning
experience, here is how we are going to continue.<br>
<br>
1. Project 2 is GOING AWAY as far as an independent grade<br>
<br>
2. Project 1 can be resubmitted (code only, no papers) with the
following stipulations:<br>
<br>
a. Your program should be able to use the modified form of the
nmr.in file found on the class website. <br>
It has one additional line of input, so you will have to
modify your codes to handle this. Please understand, I am<br>
going to be using input files that look exactly like nmr.in
(with the # comments). If your program crashes<br>
on reading this input then it does not work. If you don't
know how to read input files like this then please ask for <br>
help and don't just assume that I am going to use input files
formatted like you want to format them.<br>
b. Your program has to build/compile with ONE COMMAND and run
with ONE COMMAND and produce the<br>
output file specified in the correct format (in the examples
this file was called analysis.txt) I am not going<br>
to accept programs where I have to run lots of different
pieces of code with different parameter sets to try <br>
and produce the desired output.<br>
c. Your program should be able to be run on ALL THREE different
data files found on the class website with the<br>
only change being that I change the name of the input file in
nmr.in Many of your codes crashed on the one <br>
now labelled "for grading" that has the name compound1.dat
<br>
d. the due date for these resubmissions will be 11:59 PM on the
Friday of Finals week<br>
<br>
and...<br>
<br>
3. Actually incorporating the DFT filter from PROJECT 2 in your
resubmission will be EXTRA CREDIT. There is no longer a <br>
requirement for the one page paper. Extra credit will be
awarded based on how many ways you implement<br>
the method to recover the filtered array:<br>
a. Inverse Matrix Multiplication -- up to 25 points.<br>
b. Inverse Matrix Multiplication and Direct Linear Solver
-- up to 50 points<br>
c. Inverse Matrix Multiplication, Direct Linear Solver,
and Jacobi Solver -- up to 100 points<br>
If a submitted code crashes on input no credit will be
received. We will go over this in some detail on Thursday.<br>
<br>
<br>
Let me know what questions you have. <br>
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<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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