Re: [gmx-users] GPU-accelerated performance

2017-09-06 Thread Wes Barnett
On Wed, Sep 6, 2017 at 4:58 AM, Alex wrote: > Hi all, > > We just got the new machines that were actually built with Szilárd's > advice (a while back) and I am doing some preliminary tests. "My" machine > has two 22-core Xeon E5 CPUs (44 cores / 88 threads total) + 3 Titan Xp > GPUs. So far, I go

Re: [gmx-users] GPU-accelerated performance

2017-09-06 Thread Nikhil Maroli
First, take my wow!!! thats a huge system. I would try the combinations of ntmpi XX and ntomp XXX for better performance. Currently with 3 x GPU 1070 for ~11 K system im getting around 50 ns/day (12 core processor). So I guess you can fly here. :) -- Gromacs Users mailing list * Please sea

[gmx-users] GPU-accelerated performance

2017-09-06 Thread Alex
Hi all, We just got the new machines that were actually built with Szilárd's advice (a while back) and I am doing some preliminary tests. "My" machine has two 22-core Xeon E5 CPUs (44 cores / 88 threads total) + 3 Titan Xp GPUs. So far, I got good test system performance (~11K atoms, 92 ns/da