[gmx-users] comparison of reaction field and PME

[Yuguang Mu]

Hi David,
Thank you for the reply.
Here  I send here a little statistics about the
CPU time of  PME with one cpu and di-cpu

                               one CPU                         dual-CPU
cutoff                     622 s                                 331  s
PME                      1512 s                                1294 s

It seems to me that  simple cutoff  is  very well paralleled,
but the FFTW  is not .

Yuguang