Fix Code scanning errors

iProzd · Feb 8, 2024 · 0b9a002 · 0b9a002
1 parent 993ee55
commit 0b9a002
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Showing 3 changed files with 27 additions and 15 deletions.
diff --git a/deepmd/pt/entrypoints/main.py b/deepmd/pt/entrypoints/main.py
@@ -130,7 +130,7 @@ def prepare_trainer_input_single(
         # stat files
         hybrid_descrpt = model_params_single["descriptor"]["type"] == "hybrid"
         if not hybrid_descrpt:
-            has_stat_file_path = process_stat_path(
+            stat_file_path_single, has_stat_file_path = process_stat_path(
                 data_dict_single.get("stat_file", None),
                 data_dict_single.get("stat_file_dir", f"stat_files{suffix}"),
                 model_params_single,
@@ -180,19 +180,30 @@ def prepare_trainer_input_single(
                     type_split=type_split,
                     noise_settings=noise_settings,
                 )
-        return train_data_single, validation_data_single, sampled_single
+        return (
+            train_data_single,
+            validation_data_single,
+            sampled_single,
+            stat_file_path_single,
+        )
 
     if not multi_task:
-        train_data, validation_data, sampled = prepare_trainer_input_single(
+        (
+            train_data,
+            validation_data,
+            sampled,
+            stat_file_path,
+        ) = prepare_trainer_input_single(
             config["model"], config["training"], config["loss"]
         )
     else:
-        train_data, validation_data, sampled = {}, {}, {}
+        train_data, validation_data, sampled, stat_file_path = {}, {}, {}, {}
         for model_key in config["model"]["model_dict"]:
             (
                 train_data[model_key],
                 validation_data[model_key],
                 sampled[model_key],
+                stat_file_path[model_key],
             ) = prepare_trainer_input_single(
                 config["model"]["model_dict"][model_key],
                 config["training"]["data_dict"][model_key],
@@ -204,6 +215,7 @@ def prepare_trainer_input_single(
         config,
         train_data,
         sampled=sampled,
+        stat_file_path=stat_file_path,
         validation_data=validation_data,
         init_model=init_model,
         restart_model=restart_model,

diff --git a/deepmd/pt/train/training.py b/deepmd/pt/train/training.py
@@ -68,6 +68,7 @@ def __init__(
         config: Dict[str, Any],
         training_data,
         sampled=None,
+        stat_file_path=None,
         validation_data=None,
         init_model=None,
         restart_model=None,
@@ -180,13 +181,13 @@ def get_data_loader(_training_data, _validation_data, _training_params):
                 valid_numb_batch,
             )
 
-        def get_single_model(_model_params, _sampled):
+        def get_single_model(_model_params, _sampled, _stat_file_path):
             model = get_model(deepcopy(_model_params)).to(DEVICE)
             if not model_params.get("resuming", False):
                 model.compute_or_load_stat(
                     type_map=_model_params["type_map"],
                     sampled=_sampled,
-                    stat_file_path_dict=model_params.get("stat_file_path", None),
+                    stat_file_path_dict=_stat_file_path,
                 )
             return model
 
@@ -237,7 +238,7 @@ def get_loss(loss_params, start_lr, _ntypes):
                 self.validation_data,
                 self.valid_numb_batch,
             ) = get_data_loader(training_data, validation_data, training_params)
-            self.model = get_single_model(model_params, sampled)
+            self.model = get_single_model(model_params, sampled, stat_file_path)
         else:
             (
                 self.training_dataloader,
@@ -260,7 +261,9 @@ def get_loss(loss_params, start_lr, _ntypes):
                     training_params["data_dict"][model_key],
                 )
                 self.model[model_key] = get_single_model(
-                    model_params["model_dict"][model_key], sampled[model_key]
+                    model_params["model_dict"][model_key],
+                    sampled[model_key],
+                    stat_file_path[model_key],
                 )
 
         # Learning rate

diff --git a/deepmd/pt/utils/stat.py b/deepmd/pt/utils/stat.py
@@ -110,7 +110,6 @@ def compute_output_bias(energy, natoms, rcond=None):
 def process_stat_path(
     stat_file_dict, stat_file_dir, model_params_dict, descriptor_cls, fitting_cls
 ):
-    model_params_dict["stat_file_dir"] = stat_file_dir
     if stat_file_dict is None:
         stat_file_dict = {}
         if "descriptor" in model_params_dict:
@@ -127,13 +126,11 @@ def process_stat_path(
                 **model_params_dict["fitting_net"],
             )
             stat_file_dict["fitting_net"] = default_stat_file_name_fitting
-    model_params_dict["stat_file_path"] = {
-        key: os.path.join(model_params_dict["stat_file_dir"], stat_file_dict[key])
-        for key in stat_file_dict
+    stat_file_path = {
+        key: os.path.join(stat_file_dir, stat_file_dict[key]) for key in stat_file_dict
     }
 
     has_stat_file_path_list = [
-        os.path.exists(model_params_dict["stat_file_path"][key])
-        for key in stat_file_dict
+        os.path.exists(stat_file_path[key]) for key in stat_file_dict
     ]
-    return False not in has_stat_file_path_list
+    return stat_file_path, False not in has_stat_file_path_list