[gmx-users] cpu/gpu utilization

[Szilárd Páll]

Thanks!

Looking at the log file, as I guessed earlier, you can see the following:

- Given that you have a rather low-end GPU and a fairly fast workstation
CPU the run is *very* GPU-bound: the CPU spends 16.4 + 54.2 = 70.6% waiting
for the GPU (see lines 628 and 630)

- this means that the default behavior of offloading both the nonbonded and
PME tasks to the GPU is not beneficial (try the other parallel modes)

- mdrun is still using 8 cores / 16 threads *for the parts of the run that
require it* (Bonded forces (2.7%), Integration / Constraints (2.6 % / 4.9
%) etc.), but as this takes <30% of the runtime, that gives you your
average of 4.5 utilization (0.3*16 = 4.8). That you "see" 9 threads active
is just the averaging/sampling effect of from your minitoring tools.

Cheers,

--
Szilárd

On Wed, Feb 28, 2018 at 10:12 PM, Mahmood Naderan <nt_mahmood at yahoo.com>
wrote:

> >The list does not accept attachments, so please use a file sharing or
> content sharing website so >everyone can see your data and has the context.
>
> I uploaded here
>
> https://pastebin.com/RCkkFXPx
>
>
>
> Regards,
> Mahmood
>
>