Re: [AMBER] MD run on RTX-3070 gpu card is much slower than that on RTX-2080ti

From: Ross Walker <>
Date: Fri, 16 Jul 2021 08:43:44 -0400

Hi Jinfeng,

I've seen similar issues with the latest cuda although didn't get a chance to properly repro it.

I would suggest going back to CUDA 11.1 and see how it performs with that. I'd also suggest downloading the benchmark suite (here <>) and see how that performs.

It's also worth checking the card temperature and power consumption with 'nvidia-smi' while the benchmark is running to make sure things aren't thermally throttling.

All the best

> On Jul 16, 2021, at 00:40, jinfeng liu <> wrote:
> Dear Amber developers,
> I run MD simulations on our new RTX-3070 gpu cards with cuda-11.3. However,
> I find that it is much slower than that on our previous RTX-2080ti cards.
> For the same system, I can run 2.5 ns simulation per day on RTX-2080ti, but
> only ~1.2 ns per day on RTX-3070. In addition, I got a warning in the out
> file for the simulation on RTX-3070 which is like the following,
> "WARNING: Stack usage limited by a hard resource limit of 12582912 bytes!
> | If segment violations occur, get your sysadmin to increase the
> limit."
> Could anyone help to figure this out? Thanks very much !
> Best,
> Jinfeng
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Received on Fri Jul 16 2021 - 06:00:02 PDT
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