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Add examples to use multiple GPUs on HPC #159

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ichxw opened this issue Sep 9, 2024 · 1 comment
Open

Add examples to use multiple GPUs on HPC #159

ichxw opened this issue Sep 9, 2024 · 1 comment

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@ichxw
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ichxw commented Sep 9, 2024

The current tutorial can only use one GPU. Could you add one example of how to use all available GPUs?

@IAlibay
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IAlibay commented Sep 22, 2024

@ichxw at this moment OpenFE doesn't allow for a single transformation to parallelize over multiple GPUs.

The intended approach, for now, is that folks will run each of their transformation on a different GPU (you can see an example of this here https://github.com/OpenFreeEnergy/ExampleNotebooks/blob/main/rbfe_tutorial/cli_tutorial.md#running-the-simulations where you can submit each execution to a different job on a cluster).

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