On Mon, Mar 22, 2010 at 7:13 PM, Konstantin Tokarev <[email protected]> wrote:
>
>
> 22.03.10, 18:56, "Tim Vandermeersch" <[email protected]>:
>
>> On Sun, Mar 21, 2010 at 12:48 PM, Konstantin Tokarev wrote:
>> > Are there any perforamnce benchmark scripts for OB? E.g., I'd like to test
>> > if OB compiled by Intel is faster than by GCC or if -O3 optimization with
>> > Intel is more effective than -O2
>> Are there specific parts of the code you want to test? For
>> example,OBMol::ConnectTheDots could be made faster for large
>> molecules.
>
> Yes, it's quite slow. But it's a problem of algorithm, not compiler
>
>>I don't know if anyone has been benchmarking OB code (apart
>> from force field code).
>> On linux, you can always use the time command to check how long
>> something takes. We could also add some macros to obtest.h to do
>> benchmarking.
>
> I know. I wondered if there are some "ready" benchmarks to do less work
In openbabel trunk, I added test/obbench.h to provide some macros for
performance benchmarking. It provides millisecond precision but
converts to minutes/seconds when needed. Using it is very simple:
OB_BENCHMARK {
// code to benchmark here...
}
Multiple iterations are performed when a single iteration takes less
than 500ms (could be changed, this is an idea taken from Qt's
QBENCHMARK).
I also added a feature I miss in QBENCHMARK: A way to track benchmarks
over time. It is still very basic but the idea is that the benchmark
results get saved to a benchmark.txt file. The formatting of the file
allows the content to be copied to a spreadsheet for analysis. To use
this, a different macro is used:
OB_NAMED_BENCHMARK("Some name identifying the benchmark") {
// code....
}
With some cmake magic, it should be possible to record compiler and
compiler options. Otherwise, date/time could be recorded.
Feedback is welcome. I didn't add this to test/CMakeLists.txt since I
didn't want to break anything. It should work though. I've tested here
on linux and windows XP.
Cheers,
Tim
> --
> Regards,
> Konstantin
>
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