Re: [AMBER-Developers] weird behavior for pmemd.cuda on Volta cards

From: David Cerutti <>
Date: Fri, 8 Dec 2017 15:23:46 -0500

One thing that's struck me about Adrian's benchmarks is that they
consistently seem to beat the published values. Back in August Adrian's
crew was getting 698ns on JAC 4fs NVE with Amber16 / GTX-1080Ti, where the
website published 624. He got 765 with my improvements as of that date, so
I think now he should be pushing 800 on that card. We'll see. Once we
figure out what's going on with our Volta I think our next steps on the
code will become clear.

On Fri, Dec 8, 2017 at 3:00 PM, David A Case <> wrote:

> On Fri, Dec 08, 2017, Dan Roe wrote:
> >
> > One simple way to test this is when you notice the slowdown run
> > 'nvidia-smi' and note the performance state. If it's anything but P0
> > you're being throttled. I believe this can also happen due to too much
> > power consumption.
> The Perf value stays at P0, but I notice that the power usage declines
> from 139W to 103W, then levels out at about 120W. Cap is at 250W.
> Temperature never changes from 82C.
> It's still not clear to me that we actually have an identical software
> environment to what Adrian has. But I admit it looks more like
> hardware....
> ....dac
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Received on Fri Dec 08 2017 - 12:30:04 PST
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