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big file rename: all model scripts now named train|test_{model_name}.py
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models/megnet/slurm_array_megnet_wbm.py models/megnet/test_megnet.py

+4-1
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@@ -36,6 +36,7 @@
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partition="icelake-himem",
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account="LEE-SL3-CPU",
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time=(slurm_max_job_time := "12:0:0"),
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slurm_flags=("--mem", "30G"),
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# TF_CPP_MIN_LOG_LEVEL=2 means INFO and WARNING logs are not printed
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# https://stackoverflow.com/a/40982782
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pre_cmd="TF_CPP_MIN_LOG_LEVEL=2",
@@ -89,7 +90,9 @@
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raise ValueError(f"Unknown {task_type = }")
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megnet_e_form_preds = {}
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for material_id, structure in tqdm(structures.items(), total=len(structures)):
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for material_id, structure in tqdm(
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structures.items(), disable=None, total=len(structures)
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):
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if material_id in megnet_e_form_preds:
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continue
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try:

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