23.03.10, 20:30, "Tim Vandermeersch" <[email protected]>:
> On Mon, Mar 22, 2010 at 7:13 PM, Konstantin Tokarev wrote:
> >
> >
> > 22.03.10, 18:56, "Tim Vandermeersch" :
> >
> >> 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
>
>
Great! Will try later
Maybe it's reasonable to run all available tests to check performance of all
modules. If some module slows down with -O3, "detunings" could be added
> > --
> > Regards,
> > Konstantin
> >
>
>
--
Regards,
Konstantin
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