22.03.10, 18:56, "Tim Vandermeersch" <tim.vandermeer...@gmail.com>:

> 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
-- 
Regards,
Konstantin

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