[gmx-developers] FLOP accounting in Gromacs 4.6

[Carsten Kutzner]

Hi,

can I use the Mega-Flops accounting at the end of the md.log file to
calculate how much of the theoretical peak performance of a processor
Gromacs is using? I understand that Flops used in communication are
not counted, so the accounting will give me a lower estimate.

At what percentage of the theoretical peak performance will Gromacs 4.6
typically run using the Verlet kernels and PME (let's say we have a 
big MD system)? 

Do I have to divide the reported Flops by two when running single precision?

Thanks,
  Carsten