[gmx-users] Parallel FFTW performance

[Erik Lindahl]

Oh, another thing:

You can increase the PME grid spacing (decreasing grid memory usage) if 
you also increase the interpolation order.

This is not smart for a single CPU (4th order and 0.12 seems to be a 
good balance), but for multiple CPUs it is better to use a higher 
interpolation order - you swap communication for calculation.

Cheers,

Erik