I\'m working on scientific code that is very performance-critical. An initial version of the code has been written and tested, and now, with profiler in hand, it\'s time to
Is there any benefit to replacing STL containers/algorithms with hand-rolled ones?
Generally, not unless you're working with a poor implementation. I wouldn't replace an STL container or algorithm just because you think you can write tighter code. I'd do it only if the STL version is more general than it needs to be for your problem. If you can write a simpler version that does just what you need, then there might be some speed to gain there.
One exception I've seen is to replace a copy-on-write std::string with one that doesn't require thread synchronization.
for std::vectors whose needed sizes are unknown but have a reasonably small upper bound, is it profitable to replace them with statically-allocated arrays?
Unlikely. But if you're using a lot of time allocating up to a certain size, it might be profitable to add a reserve() call.
performance tradeoffs of returning large temporary data structures by value vs. returning by pointer vs. passing the result in by reference.
When working with containers, I pass iterators for the inputs and an output iterator, which is still pretty general.
How cache-aware do compilers tend to be? For example, is it worth looking into reordering nested loops?
Not very. Yes. I find that missed branch predictions and cache-hostile memory access patterns are the two biggest killers of performance (once you've gotten to reasonable algorithms). A lot of older code uses "early out" tests to reduce calculations. But on modern processors, that's often more expensive than doing the math and ignoring the result.
A significant bottleneck in my code used to be conversions from floating point to integers
Yup. I recently discovered the same issue.
One consequence of C++ being compiled and linked separately is that the compiler is unable to do what would seem to be very simple optimizations, such as move method calls like strlen() out of the termination conditions of loop.
Some compilers can deal with this. Visual C++ has a "link-time code generation" option that effective re-invokes the compiler to do further optimization. And, in the case of functions like strlen, many compilers will recognize that as an intrinsic function.
Are there any optimization like this one that I should look out for because they can't be done by the compiler and must be done by hand? On the flip side, are there any techniques I should avoid because they are likely to interfere with the compiler's ability to automatically optimize code?
When you're optimizing at this low level, there are few reliable rules of thumb. Compilers will vary. Measure your current solution, and decide if it's too slow. If it is, come up with a hypothesis (e.g., "What if I replace the inner if-statements with a look-up table?"). It might help ("eliminates stalls due to failed branch predictions") or it might hurt ("look-up access pattern hurts cache coherence"). Experiment and measure incrementally.
I'll often clone the straightforward implementation and use an #ifdef HAND_OPTIMIZED/#else/#endif to switch between the reference version and the tweaked version. It's useful for later code maintenance and validation. I commit each successful experiment to change control, and keep a log (spreadsheet) with the changelist number, run times, and explanation for each step in optimization. As I learn more about how the code behaves, the log makes it easy to back up and branch off in another direction.
You need a framework for running reproducible timing tests and to compare results to the reference version to make sure you don't inadvertently introduce bugs.