2010/3/23 Konstantin Tokarev <annu...@yandex.ru>:
>
>
> 23.03.10, 20:30, "Tim Vandermeersch" <tim.vandermeer...@gmail.com>:
>
>> 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

The header is working now, see the link below for an example graph
from openoffice calc. I'll see if I can add some more useful
benchmarks but this is just reading a lot of files or generating a
fastsearch index like already suggested. One last remark about -O3: it
is known it can create bugs... That's why we usually use -O2 AFAIK.

link: http://imagebin.org/90060

Cheers,
Tim

>>  > --
>>  > Regards,
>>  > Konstantin
>>  >
>>
>>
>
> --
> Regards,
> Konstantin
>

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