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Add on-the-fly checkpoint download and caching in mace_mp #230

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merged 15 commits into from
Nov 17, 2023

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@janosh janosh commented Nov 16, 2023

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@janosh janosh changed the title Fix hardcoded default_dtype = "float32" in mace_mp Add on-the-fly checkpoint download and caching in mace_mp Nov 16, 2023
fixes RuntimeError: Attempting to deserialize object on a CUDA device but torch.cuda.is_available() is False.
@ilyes319 ilyes319 merged commit 4ac1873 into ACEsuit:develop Nov 17, 2023
@janosh janosh deleted the fix-hardcoded-mace-mp-dtype branch November 17, 2023 22:48
janosh added a commit to materialsproject/atomate2 that referenced this pull request Nov 20, 2023
janosh added a commit to materialsproject/atomate2 that referenced this pull request Nov 20, 2023
…model (#614)

* MACE Static/RelaxMakers default to loading mace_mp instead of test model

* parametrize model_path in test_mace_static_maker and test_mace_relax_maker

* bump matgl==0.9.0 to fix CI error

* del revert_torch_default_dtype fixture used in mace tests

* mace_mp() pass model_path as model to adapt new API added in ACEsuit/mace#230 and silence deprecation warning

* tmp uncomment failing asserts in test_elastic_wf_with_m3gnet

* update test_mace_static_maker
and test_mace_relax_maker: model_path->model

* use MACE develop branch with latest mace_mp fixes

* use MACE develop branch even in strict deps (ouch...)
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