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by munch0r 398 days ago
Not true for regular GPUs like RTX5090. They have atrocious float64 performance compared to CPU. You need a special GPU designed for scientific computations (many float64 cores)
1 comments

This is confusing: GPUs seem great for scientific computations. You often want f64 for scientific computation. GPUs aren't good with f64.

I'm trying to evaluate if I can get away with f32 for GPU use for my molecular docking software. Might be OK, but I've hit cases broadly where f64 is fine, but f32 is not.

I suppose this is because the dominant uses games and AI/ML use f32, or for AI even less‽

You need cards like the A100 / H100 / H200 / B200. GPUs aren’t fundamentally worse at f64. Nvidia just makes it worse in many cards for market segmentation.