[gmx-users] fftw vs cmkl

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Thu Dec 10 22:45:02 CET 2009

Thanks Mark.

My stats on this, GROMACS 4.0.7 compiled with gcc, run on two quad-core Xeon processors with 16GB of RAM, 100,000 atoms, PME, 200,000 steps

fftw 3.2.1 - 20,027 seconds

Intel cmkl - 19,792 seconds

So about 1.2% faster.

Catch ya,

Dr Dallas Warren
Pharmacy and Pharmaceutical Sciences
Monash University

A polar bear is a Cartesian bear that has undergone a polar transformation
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