From: Chris Taylor (
Date: Mon Apr 10 2023 - 20:08:42 CDT

Thanks John, it's some Quadro P600s with just 2Gb RAM each. I tried rebuilding with NVIDIA-OptiX-SDK-6.5.0-linux64 and, just to see, adding "--mem-per-gpu=1028" to my SLURM sbatch but I get the same thing with and without the restriction. Thanks

> On 04/09/2023 10:58 PM PDT John Stone <> wrote:
> Hi,
> How much RAM do the GPUs you're running on actually have?
> While I wouldn't expect a 1.5M-atom structure to be a big
> challenge for QuickSurf, it does need some decent GPU memory,
> and if you've restricted it to anything less than several gigabytes,
> I would perhaps start out with no restriction at all and work back
> the other direction.
> If your next goal is to do some GPU ray tracing, that'll need even
> more memory, so I would again recommend letting VMD use all of the
> available GPU memory...
> If this doesn't work out, tell me more about the hardware and I can
> give you some things to try out.
> Best,
> John Stone