Found by Codex global repository scan of deepmodeling/dpgen2 at commit 2679611a3704f5c2646c8cb353e34177518db758.
The CALYPSO model-deviation step uses the run template and run executor:
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# run model devi |
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run_caly_model_devi = Step( |
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"run-caly-model-devi", |
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template=PythonOPTemplate( |
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run_caly_model_devi_op, |
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slices=Slices( |
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input_parameter=["task_name"], |
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input_artifact=["traj_dirs"], |
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output_artifact=["traj", "model_devi"], |
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), |
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python_packages=upload_python_packages, |
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**run_template_config, |
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), |
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parameters={ |
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"type_map": prep_run_caly_steps.inputs.parameters["type_map"], |
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"task_name": prep_caly_model_devi.outputs.parameters["task_name_list"], |
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}, |
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artifacts={ |
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"traj_dirs": prep_caly_model_devi.outputs.artifacts["grouped_traj_list"], |
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"models": prep_run_caly_steps.inputs.artifacts["models"], |
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}, |
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key="%s--run-caly-model-devi-{{item}}" |
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% (prep_run_caly_steps.inputs.parameters["block_id"],), |
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executor=run_executor, |
But the Step receives **prep_config instead of **run_config:
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key="%s--run-caly-model-devi-{{item}}" |
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% (prep_run_caly_steps.inputs.parameters["block_id"],), |
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executor=run_executor, |
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**prep_config, |
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) |
This means step-level settings intended for the expensive run phase, such as parallelism or continue-on-failure behavior, can be silently ignored or replaced by prep-step settings.
Suggested fix: pass the remaining run_config to the run-caly-model-devi step and add a workflow construction test that verifies run-step configuration is applied to this step.
Found by Codex global repository scan of
deepmodeling/dpgen2at commit2679611a3704f5c2646c8cb353e34177518db758.The CALYPSO model-deviation step uses the run template and run executor:
dpgen2/dpgen2/superop/prep_run_calypso.py
Lines 269 to 292 in 2679611
But the
Stepreceives**prep_configinstead of**run_config:dpgen2/dpgen2/superop/prep_run_calypso.py
Lines 290 to 294 in 2679611
This means step-level settings intended for the expensive run phase, such as parallelism or continue-on-failure behavior, can be silently ignored or replaced by prep-step settings.
Suggested fix: pass the remaining
run_configto therun-caly-model-devistep and add a workflow construction test that verifies run-step configuration is applied to this step.