diff --git a/sample_model_configurations/amd_configs/orbmol.py b/sample_model_configurations/amd_configs/orbmol.py index d1b9223..8a24ff3 100644 --- a/sample_model_configurations/amd_configs/orbmol.py +++ b/sample_model_configurations/amd_configs/orbmol.py @@ -57,6 +57,16 @@ "orbmol:custom": None, } +# The smoke-test's weights= leg borrows the first fetched family checkpoint +# (CHECKPOINTS order → orbmol-v1-conservative) and reloads its weights through +# setup_from_path, whose default arch is orbmol-v2. The v2 energy head has 257 +# input columns (CoulombModule adds one) against v1's 256, so the default arch +# fails with a state_dict size mismatch (Frontier, 2026-08-24). Name the +# matching architecture for the leg; your own weights still take arch= per call. +VERIFY_KWARGS = { + "orbmol:custom": {"arch": "orbmol-v1-conservative"}, +} + def _default_weights_url(load_fn) -> str: """The upstream URL baked into the loader's ``weights_path`` default.""" diff --git a/sample_model_configurations/nvidia_configs/orbmol.py b/sample_model_configurations/nvidia_configs/orbmol.py index 67847e1..4c57bee 100644 --- a/sample_model_configurations/nvidia_configs/orbmol.py +++ b/sample_model_configurations/nvidia_configs/orbmol.py @@ -49,6 +49,16 @@ "orbmol:custom": None, } +# The smoke-test's weights= leg borrows the first fetched family checkpoint +# (CHECKPOINTS order → orbmol-v1-conservative) and reloads its weights through +# setup_from_path, whose default arch is orbmol-v2. The v2 energy head has 257 +# input columns (CoulombModule adds one) against v1's 256, so the default arch +# fails with a state_dict size mismatch (Frontier, 2026-08-24). Name the +# matching architecture for the leg; your own weights still take arch= per call. +VERIFY_KWARGS = { + "orbmol:custom": {"arch": "orbmol-v1-conservative"}, +} + def _default_weights_url(load_fn) -> str: """The upstream URL baked into the loader's ``weights_path`` default."""