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Add functions to profile model performance #282

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wiederm opened this issue Oct 15, 2024 · 0 comments · May be fixed by #266

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wiederm commented Oct 15, 2024

It would be useful to have the following profiling tools for a given potential:

compute graph with allocated memory blocks
force calculation timing/GPU memory consumption as a function of atoms in a periodic box
GPU memory trace for force calculations

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Memory profiling #266

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