Is 0.694 timesteps/s a normal speed?

[link89]

It looks like the lammps project is not allowed to create issue.

I have compile a lammps-mace for CUDA environment and use it to test a 480 atoms system. The logs show that it does run on GPU but the speed is relative slow. I am just wondering is it a normal speed or not.

Here is the script of compiling mice: https://gist.github.com/link89/efcad575fb29fe228ace5c417113c957

And the log is in the attachment.
mace.log

[ilyes319]

Hey @link89, what is your GPU, and what is your model size (number of channels, and equivariance of the model). This is quite slow for a typical mace model.

[link89]

It's A100 GPU and after finetune the CPU and threads the speed can reach to 7.974 timesteps/s

[Juo-kim]

Hi @link89,
Did you mean that the speed increased after the fine-tuning?
Could you explain more about that?
I have a similar problem too.