Source code for deepmd.entrypoints.compress

"""Compress a model, which including tabulating the embedding-net."""

import os
import json
import logging
from typing import Optional

from deepmd.common import j_loader
from deepmd.env import tf, GLOBAL_ENER_FLOAT_PRECISION
from deepmd.utils.argcheck import normalize
from deepmd.utils.compat import updata_deepmd_input
from deepmd.utils.errors import GraphTooLargeError, GraphWithoutTensorError
from deepmd.utils.graph import get_tensor_by_name

from .freeze import freeze
from .train import train, get_rcut, get_min_nbor_dist
from .transfer import transfer

__all__ = ["compress"]

log = logging.getLogger(__name__)


[docs]def compress( *, input: str, output: str, extrapolate: int, step: float, frequency: str, checkpoint_folder: str, training_script: str, mpi_log: str, log_path: Optional[str], log_level: int, **kwargs ): """Compress model. The table is composed of fifth-order polynomial coefficients and is assembled from two sub-tables. The first table takes the step parameter as the domain's uniform step size, while the second table takes 10 * step as it's uniform step size. The range of the first table is automatically detected by the code, while the second table ranges from the first table's upper boundary(upper) to the extrapolate(parameter) * upper. Parameters ---------- input : str frozen model file to compress output : str compressed model filename extrapolate : int scale of model extrapolation step : float uniform step size of the tabulation's first table frequency : str frequency of tabulation overflow check checkpoint_folder : str trining checkpoint folder for freezing training_script : str training script of the input frozen model mpi_log : str mpi logging mode for training log_path : Optional[str] if speccified log will be written to this file log_level : int logging level """ try: t_jdata = get_tensor_by_name(input, 'train_attr/training_script') t_min_nbor_dist = get_tensor_by_name(input, 'train_attr/min_nbor_dist') jdata = json.loads(t_jdata) except GraphWithoutTensorError as e: if training_script == None: raise RuntimeError( "The input frozen model: %s has no training script or min_nbor_dist information, " "which is not supported by the model compression interface. " "Please consider using the --training-script command within the model compression interface to provide the training script of the input frozen model. " "Note that the input training script must contain the correct path to the training data." % input ) from e elif not os.path.exists(training_script): raise RuntimeError( "The input training script %s (%s) does not exist! Please check the path of the training script. " % (input, os.path.abspath(input)) ) from e else: log.info("stage 0: compute the min_nbor_dist") jdata = j_loader(training_script) t_min_nbor_dist = get_min_nbor_dist(jdata, get_rcut(jdata)) _check_compress_type(input) tf.constant(t_min_nbor_dist, name = 'train_attr/min_nbor_dist', dtype = GLOBAL_ENER_FLOAT_PRECISION) jdata["model"]["compress"] = {} jdata["model"]["compress"]["type"] = 'se_e2_a' jdata["model"]["compress"]["compress"] = True jdata["model"]["compress"]["model_file"] = input jdata["model"]["compress"]["min_nbor_dist"] = t_min_nbor_dist jdata["model"]["compress"]["table_config"] = [ extrapolate, step, 10 * step, int(frequency), ] jdata["training"]["save_ckpt"] = "model-compression/model.ckpt" jdata = normalize(jdata) # check the descriptor info of the input file # move to the specific Descriptor class # stage 1: training or refining the model with tabulation log.info("\n\n") log.info("stage 1: compress the model") control_file = "compress.json" with open(control_file, "w") as fp: json.dump(jdata, fp, indent=4) try: train( INPUT=control_file, init_model=None, restart=None, init_frz_model=None, output=control_file, mpi_log=mpi_log, log_level=log_level, log_path=log_path, is_compress=True, ) except GraphTooLargeError as e: raise RuntimeError( "The uniform step size of the tabulation's first table is %f, " "which is too small. This leads to a very large graph size, " "exceeding protobuf's limitation (2 GB). You should try to " "increase the step size." % step ) from e # stage 2: freeze the model log.info("\n\n") log.info("stage 2: freeze the model") freeze(checkpoint_folder=checkpoint_folder, output=output, node_names=None)
def _check_compress_type(model_file): try: t_model_type = bytes.decode(get_tensor_by_name(model_file, 'model_type')) except GraphWithoutTensorError as e: # Compatible with the upgraded model, which has no 'model_type' info t_model_type = None if t_model_type == "compressed_model": raise RuntimeError("The input frozen model %s has already been compressed! Please do not compress the model repeatedly. " % model_file)