Re: Setting up GPU workstation advice

From: Jérôme Hénin (
Date: Mon Jan 08 2018 - 07:27:50 CST

Hi Horacio,

With this setup, do you gain anything from hyperthreading? What happens if
you run just one task per physical core?


On 8 January 2018 at 14:17, horacio poblete <> wrote:

> Hi Lewis.
> I have a very similar setting-up than yours.
> I have a 2 x E5-2683 v4, 16C. 2.1GHz (32 cores=64 threads total) plus 2
> and 4 GTX 1080Ti.
> I have been running on it 24/7 also, without any problem. The only issue
> is that namd still yet been cpu dependent more than GPU.
> example: With one of the servers running 2 calculation simultaneously (
> each one: 32 threads +1GPU, ~45K atoms), I can reach ~100 ns/day but but
> the performance of the GPUs reach only to the ~60% of the GPU.
> on the other hand, in the other server, running 4 calculations
> simultaniously (16 threads +1GPU, each) I can get ~60-for the 70 ns/day but
> now I am using only the 38% of each CPU.
> I dont know if the namd developers are working on improve it, I hope yes!--001a113d12f6fbf8c8056243c48e--

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:47 CST