[gmx-users] IBM p-series performance

[Stephan Frickenhaus]

Hello!

I tested gromacs 3.2.1 (single prec)  on ibm-p655 power4 (1.1GHz) 
(AIX5.1, xlc) systems on a single cpu.
My testcase (3D box-solvated enzyme) shows around 600MFlops/s, which 
appears low, compared to 1.85 GFlops on a Pentium4 prescott 
3GHz/800MHzFSB/PC3200 RAM, Intel8-compiler).

Any suggestions how to optimize? Is it possible to use the new 
fma-version of fftw3.01?

Stephan

-- 
       Dr. Stephan Frickenhaus
  sfrickenhaus at awi-bremerhaven.de
Alfred-Wegener-Institute for Polar and Marine Research
Columbusstraße D-27568 Bremerhaven, Germany
0471-4831-1179 (Di, Do)
0421-218-4819 (Mo,Mi,Fr)