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Stress computation can use a lot of RAM #1032

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Technici4n opened this issue Dec 10, 2024 · 1 comment
Open

Stress computation can use a lot of RAM #1032

Technici4n opened this issue Dec 10, 2024 · 1 comment

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@Technici4n
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I was running a computation whose basis alone takes 80 Gb of RAM, most of it being used by the P matrices in the nonlocal term.

Since compute_stresses_cart computes the gradient with ForwardDiff, it needs 7x as much additional memory (primal part + 6 dual parts). Unfortunately, 80 x 7 Gb was too much memory for me so my process got killed. :(

Could there be a way to reduce the memory usage of stress computations without sacrificing (too much) performance?

@antoine-levitt
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Yes, we can not store the P matrix but rather build it implicitly from the form factors and structure factors (and possibly even recompute the structure factors online). Should be a relatively local change.

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