deepmd.tf.entrypoints.train

DeePMD training entrypoint script.

Can handle local or distributed training.

Module Contents

Functions

train(*, INPUT, init_model, restart, output, ...[, ...])

Run DeePMD model training.

deepmd.tf.entrypoints.train.train(*, INPUT: str, init_model: str | None, restart: str | None, output: str, init_frz_model: str, mpi_log: str, log_level: int, log_path: str | None, is_compress: bool = False, skip_neighbor_stat: bool = False, finetune: str | None = None, **kwargs)

Run DeePMD model training.

Parameters:

INPUTstr

json/yaml control file

init_modelOptional[str]

path prefix of checkpoint files or None

restartOptional[str]

path prefix of checkpoint files or None

outputstr

path for dump file with arguments

init_frz_modelstr

path to frozen model or None

mpi_logstr

mpi logging mode

log_levelint

logging level defined by int 0-3

log_pathOptional[str]

logging file path or None if logs are to be output only to stdout

is_compressbool

indicates whether in the model compress mode

skip_neighbor_statbool, default=False

skip checking neighbor statistics

finetuneOptional[str]

path to pretrained model or None

**kwargs

additional arguments

Raises:

RuntimeError

if distributed training job name is wrong