It depends on the complexity of the model you want to run or train. If you're only doing light work, any Mac will do. If your model is heavy or processing a lot of data, then AMD GPUs (or soon Neural Engine) are significantly more efficient, so in that case avoid Macs with only Intel graphics.
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I don't know if you're seeing a leak in RAM or VRAM. In both cases, Instruments can help you identify its source: with the Allocations instrument template if it's a RAM leak, or with Metal System Trace instrument template if it's a VRAM leak (in Metal Resource Events).
I suppose you’re affected by https://developer.apple.com/documentation/metal/preparing_your_metal_app_to_run_in_the_background
Blind guess but maybe missing a const in
device MyParams& params [[ buffer (0) ]]
?
When executing compute shaders you just dispatch a grid of tasks. Whether this grid elements match each pixel of your texture is up to you. So indeed your guess about dispatching a grid of the size of the region of the source texture and adding an offset (the origin of the region) to the gid to know which pixel coordinate to read is correct.