Andreas:
Although out of thread, did you also benchmarks (MKL agains ACML) with a QM
code, say DFT with high basis set and HF CCS?
Thanks
francesco pietra
--- Andreas Svrcek-Seiler <svrci.tbi.univie.ac.at> wrote:
> Hi,
> > for a preliminary serial compilation of amber9, a suggestion arose to set
> > MKL_HOME to point to intel's mkl mathematical libraries (which I never
> > implemented, being limited to libimf.a and libimf.so).
> >
> > On the other hand
> >
> > $ ./configure --help
> >
> > informs that no great improvement can be expected from mkl libraries. I
> imagine
> > the less so for no intel's hardw, such as dual-core-opteron, in my case.
> I did 3 (hopefully somewhat) representative benchmarks for sander,
> compiled with ifort 10.0.??, with and without MKL (9.0)
> What you see in the following are total runtimes of the
> bench.jac and bench.cox2 jobs plus a versiob of bench.cox2 without any
> cutoff:
>
>
> core 2 Duo(~2.76 GHz)
> MKL noMKL
> jac 276.898 312.781
> gb_cox2 203.731 218.941
> gb_cox2_nocut 1113.535 1477.682
>
> opteron(2.2GHz)
>
> jac 448.207 466.828
> gb_cox2 378.946 386.274
> gb_cox2_nocut 2433.454 2545.342
>
> My conclusion: Intel (CPU-wise) wins this time and the gain from using the
> MKL library is not too great on either machine.
> The last time I compared MKL against ACML libraries (with NAB, where the
> switch is somewhat straightforward), the AMD libraries lost (=produced
> slower programs) even on an opteron.
>
> good luck
> Andreas
>
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Received on Sun Jul 01 2007 - 06:07:25 PDT
