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add dp_train_skip_neighbor_stat argument #1179

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Apr 12, 2023
Merged

add dp_train_skip_neighbor_stat argument #1179

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8 changes: 8 additions & 0 deletions dpgen/generator/arginfo.py
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Original file line number Diff line number Diff line change
Expand Up @@ -73,6 +73,7 @@ def training_args() -> List[Argument]:
doc_training_iter0_model_path = "The model used to init the first iter training. Number of element should be equal to numb_models."
doc_training_init_model = "Iteration > 0, the model parameters will be initilized from the model trained at the previous iteration. Iteration == 0, the model parameters will be initialized from training_iter0_model_path."
doc_default_training_param = "Training parameters for deepmd-kit in 00.train. You can find instructions from here: (https://github.com/deepmodeling/deepmd-kit)."
doc_dp_train_skip_neighbor_stat = "Append --skip-neighbor-stat flag to dp train."
doc_dp_compress = "Use dp compress to compress the model."
doc_training_reuse_iter = "The minimal index of iteration that continues training models from old models of last iteration."
doc_reusing = " This option is only adopted when continuing training models from old models. This option will override default parameters."
Expand Down Expand Up @@ -112,6 +113,13 @@ def training_args() -> List[Argument]:
optional=False,
doc=doc_default_training_param,
),
Argument(
"dp_train_skip_neighbor_stat",
bool,
optional=True,
default=False,
doc=doc_dp_train_skip_neighbor_stat,
),
Argument(
"dp_compress", bool, optional=True, default=False, doc=doc_dp_compress
),
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5 changes: 4 additions & 1 deletion dpgen/generator/run.py
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Expand Up @@ -666,7 +666,10 @@ def run_train(iter_index, jdata, mdata):
## Commands are like `dp train` and `dp freeze`
## train_command should not be None
assert train_command
command = "%s train %s" % (train_command, train_input_file)
extra_flags = ""
if jdata.get("dp_train_skip_neighbor_stat", False):
extra_flags += " --skip-neighbor-stat"
command = "%s train %s%s" % (train_command, train_input_file, extra_flags)
if training_init_model:
command = (
"{ if [ ! -f model.ckpt.index ]; then %s --init-model old/model.ckpt; else %s --restart model.ckpt; fi }"
Expand Down