I set PCIe 3.0 permanently.
With a system of 150K atoms there is no acceleration at all of molecular dynamics with ivy with respect to sandy bridge.
At the end of this exercise, given the very meager acceleration with 500K atoms (which is a large system under any respect, even for supercomputers), one might wonder whether changing from sandy bridge to ivy bridge is worth the money. Of course, this the viewpoint of number crunching. One could test if PCIe 3.0 is more advantageous with CUDA-accelerated viewers like VMD (same house as the code NAMD for molecular dynamics).
cheers
francesco pietra
On Mon, Nov 18, 2013 at 10:39:53PM +0100, Francesco Pietra wrote:
> I forgot to mention that LnkSta 8GT/s is obtained only when actually
> carrying out the MD simulation.
I believe to save power the link speed changes on the fly based on demand.
--
Len Sorensen