Are there any good online resources for how to create, maintain and think about writing test routines for numerical analysis code?
One of the limitations I can see for something like testing matrix multiplication is that the obvious tests (like having one matrix being the identity) may not fully test the functionality of the code.
Also, there is the fact that you are usually dealing with large data structures as well. Does anyone have some good ideas about ways to approach this, or have pointers to good places to look?
It sounds as if you need to think about testing in at least two different ways:
Some numerical methods allow for some meta-thinking. For example, invertible operations allow you to set up test cases to see if the result is within acceptable error bounds of the original. For example, matrix M-inverse times the matrix M * random vector V should result in V again, to within some acceptable measure of error.
Obviously, this example exercises matrix inverse, matrix multiplication and matrix-vector multiplication. I like chains like these because you can generate quite a lot of random test cases and get statistical coverage that would be a slog to have to write by hand. They don't exercise single operations in isolation, though.
Some numerical methods have a closed-form expression of their error. If you can set up a situation with a known solution, you can then compare the difference between the solution and the calculated result, looking for a difference that exceeds these known bounds.
Fundamentally, this question illustrates the problem that testing complex methods well requires quite a lot of domain knowledge. Specific references would require a little more specific information about what you're testing. I'd definitely recommend that you at least have Steve Yegge's recommended book list on hand.