超越 -O3/-Ofast 的 G + + 优化

huh, then final thing you may try: ACOVEA project: Analysis of Compiler Optimizations via an Evolutionary Algorithm -- as obvious from the description, it tries a genetic algorithm to pick the best compiler options for your project (doing compilation maaany times and check for timing, giving a feedback to the algorithm :) -- but results could be impressive! :)

relatively new hardware (Intel i5 or i7)

Why not invest in a copy of the Intel compiler and high performance libraries? It can outperform GCC on optimizations by a significant margin, typically from 10% to 30% or even more, and even more so for heavy number-crunching programs. And Intel also provide a number of extensions and libraries for high-performance number-crunching (parallel) applications, if that's something you can afford to integrate into your code. It might payoff big if it ends up saving you months of running time.

We have already done our best optimizing the source to the limit of our programming skills

In my experience, the kind of micro- and nano- optimizations that you typically do with the help of a profiler tend to have a poor return on time-investments compared to macro-optimizations (streamlining the structure of the code) and, most importantly and often overlooked, memory access optimizations (e.g., locality of reference, in-order traversal, minimizing indirection, wielding out cache-misses, etc.). The latter usually involves designing the memory structures to better reflect the way the memory is used (traversed). Sometimes it can be as simple as switching a container type and getting a huge performance boost from that. Often, with profilers, you get lost in the details of the instruction-by-instruction optimizations, and memory layout issues don't show up and are usually missed when forgetting to look at the bigger picture. It's a much better way to invest your time, and the payoffs can be huge (e.g., many O(logN) algorithms end up performing almost as slow as O(N) just because of poor memory layouts (e.g., using a linked-list or linked-tree is a typical culprit of huge performance problems compared to a contiguous storage strategy)).

It is difficult to answer without further detail:

• what type of number crunching?
• what libraries are you using?
• what degree of paralelization?

Can you write down the part of your code which takes the longest? (Typically a tight loop)

If you are CPU bound the answer will be different than if you are IO bound.

Again, please provide further detail.

If you can afford it, try VTune. It provides MUCH more info than simple sampling (provided by gprof, as far as I know). You might give the Code Analyst a try. Latter is a decent, free software but it might not work correctly (or at all) with Intel CPUs.

Being equipped with such tool, it allows you to check various measure such as cache utilization (and basically memory layout), which - if used to its full extend - provides a huge boost to efficiency.

When you are sure that you algorithms and structures are optimal, then you should definitely use the multiple cores on i5 and i7. In other words, play around with different parallel programming algorithms/patterns and see if you can get a speed up.

When you have truly parallel data (array-like structures on which you perform similar/same operations) you should give OpenCL and SIMD instructions(easier to set up) a try.

with gcc intel turn of / implement -fno-gcse (works well on gfortran) and -fno-guess-branch-prbability (default in gfortran)

I would recommend taking a look at the type of operations that costitute the heavy lifting, and look for an optimized library. There are quite a lot of fast, assembly optimized, SIMD vectorized libraries out there for common problems (mostly math). Reinventing the wheel is often tempting, but it is usually not worth the effort if an existing soltuion can cover your needs.Since you have not stated what sort of simulation it is I can only provide some examples.

http://www.yeppp.info/

http://eigen.tuxfamily.org/index.php?title=Main_Page

https://github.com/xianyi/OpenBLAS

Most of the answers suggest alternative solutions, such as different compilers or external libraries, which would most likely bring a lot of rewriting or integration work. I will try to stick to what the question is asking, and focus on what can be done with GCC alone, by activating compiler flags or doing minimal changes to the code, as requested by the OP. This is not a "you must do this" answer, but more a collection of GCC tweaks that have worked out well for me and that you can give a try if they are relevant in your specific context.

Warnings regarding original question

Before going into the details, a few warning regarding the question, typically for people who will come along, read the question and say "the OP is optimising beyond O3, I should use the same flags than he does!".

• -march=native enables usage of instructions specific to a given CPU architecture, and that are not necessarily available on a different architecture. The program may not work at all if run on a system with a different CPU, or be significantly slower (as this also enables mtune=native), so be aware of this if you decide to use it. More information here.
• -Ofast, as you stated, enables some non standard compliant optimisations, so it should used with caution as well. More information here.

Other GCC flags to try out

The details for the different flags are listed here.

• -Ofast enables -ffast-math, which in turn enables -fno-math-errno, -funsafe-math-optimizations, -ffinite-math-only, -fno-rounding-math, -fno-signaling-nans and -fcx-limited-range. You can go even further on -ffast-math1 by selectively adding some -ffast-math2 such as -fno-signed-zeros, -fno-trapping-math and others. These are not included in -Ofast and can give some additional performance increases on calculations, but you must check whether they actually benefit you and don't break any calculations.
• GCC also features a large amount of other optimisation flags which aren't enabled by any "-O" options. They are listed as "experimental options that may produce broken code", so again, they should be used with caution, and their effects checked both by testing for correctness and benchmarking. Nevertheless, I do often use -frename-registers, this option has never produced unwanted results for me and tends to give a noticeable performance increase (ie. can be measured when benchmarking). This is the type of flag that is very dependant on your processor though. -funroll-loops also sometimes gives good results (and also implies -frename-registers), but it is dependent on your actual code.

PGO

GCC has Profile-Guided Optimisations features. There isn't a lot of precise GCC documentation about it, but nevertheless getting it to run is quite straightforward.

• first compile your program with -fprofile-generate.
• let the program run (the execution time will be significantly slower as the code is also generating profile information into .gcda files).
• recompile the program with -fprofile-use. If your application is multi-threaded also add the -fprofile-correction flag.

PGO with GCC can give amazing results and really significantly boost performance (I've seen a 15-20% speed increase on one of the projects I was recently working on). Obviously the issue here is to have some data that is sufficiently representative of your application's execution, which is not always available or easy to obtain.

GCC's Parallel Mode

GCC features a Parallel Mode, which was first released around the time where the GCC 4.2 compiler was out.

Basically, it provides you with parallel implementations of many of the algorithms in the C++ Standard Library. To enable them globally, you just have to add the -fopenmp and the -D_GLIBCXX_PARALLEL flags to the compiler. You can also selectively enable each algorithm when needed, but this will require some minor code changes.

All the information about this parallel mode can be found here.

If you frequently use these algorithms on large data structures, and have many hardware thread contexts available, these parallel implementations can give a huge performance boost. I have only made use of the parallel implementation of sort so far, but to give a rough idea I managed to reduce the time for sorting from 14 to 4 seconds in one of my applications (testing environment: vector of 100 millions objects with custom comparator function and 8 cores machine).

Extra tricks

Unlike the previous points sections, this part does require some small changes in the code. They are also GCC specific (some of them work on Clang as well), so compile time macros should be used to keep the code portable on other compilers. This section contains some more advanced techniques, and should not be used if you don't have some assembly level understanding of what's going on. Also note that processors and compilers are pretty smart nowadays, so it may be tricky to get any noticeable benefit from the functions described here.

• GCC builtins, which are listed here. Constructs such as __builtin_expect can help the compiler do better optimisations by providing it with branch prediction information. Other constructs such as __builtin_prefetch brings data into a cache before it is accessed and can help reducing cache misses.
• function attributes, which are listed here. In particular, you should look into the hot and cold attributes; the former will indicate to the compiler that the function is a hotspot of the program and optimise the function more aggressively and place it in a special subsection of the text section, for better locality; the later will optimise the function for size and place it in another special subsection of the text section.

I hope this answer will prove useful for some developers, and I will be glad to consider any edits or suggestions.

Some notes about the currently chosen answer (I do not have enough reputation points yet to post this as a comment):

The answer says:

-fassociative-math, -freciprocal-math, -fno-signed-zeros, and -fno-trapping-math. These are not included in -Ofast and can give some additional performance increases on calculations

Perhaps this was true when the answer was posted, but the GCC documentation says that all of these are enabled by -funsafe-math-optimizations, which is enabled by -ffast-math, which is enabled by -Ofast. This can be checked with the command gcc -c -Q -Ofast --help=optimizer, which shows which optimizations are enabled by -Ofast, and confirms that all of these are enabled.

The answer also says:

other optimisation flags which aren't enabled by any "-O" options... -frename-registers

Again, the above command shows that, at least with my GCC 5.4.0, -frename-registers is enabled by default with -Ofast.