import os from typing import Any, Dict, Optional from lightning_fabric.utilities.types import _PATH import argparse import torch import warnings import pytorch_lightning as pl from pytorch_lightning import Trainer, strategies import pytorch_lightning.callbacks as plc from pytorch_lightning.loggers import CSVLogger, WandbLogger # from model.blip2_stage1 import Blip2Stage1 from model.prot_clap import PLProtClap from data_provider.stage1_dm import Stage1DM from pathlib import Path os.environ['OPENBLAS_NUM_THREADS'] = '1' ## for pyg bug warnings.filterwarnings('ignore', category=UserWarning, message='TypedStorage is deprecated') ## for A5000 gpus torch.set_float32_matmul_precision('medium') # can be medium (bfloat16), high (tensorfloat32), highest (float32) class MyDeepSpeedStrategy(strategies.DeepSpeedStrategy): def save_checkpoint( self, checkpoint: Dict[str, Any], filepath: _PATH, storage_options: Optional[Any] = None ): """Save model/training states as a checkpoint file through state-dump and file-write. Args: checkpoint: dict containing model and trainer state filepath: write-target file's path storage_options: parameter for how to save to storage, passed to ``CheckpointIO`` plugin """ if self.is_global_zero: self.checkpoint_io.save_checkpoint(checkpoint, filepath, storage_options=storage_options) def main(args): pl.seed_everything(args.seed) # model if args.init_checkpoint: print(f"loading model from {args.init_checkpoint}") model = PLProtClap.load_from_checkpoint(args.init_checkpoint, device=args.devices, strict=False) else: model = PLProtClap(args) print('total params:', sum(p.numel() for p in model.parameters())) # data dm = Stage1DM(args.num_workers, args.batch_size, args.root, args) dm.init_tokenizer(model.prot_clap.tokenizer, model.prot_clap.plm_tokenizer) model.val_match_loader, model.test_match_loader = dm.match_dataloader() callbacks = [] callbacks.append(plc.ModelCheckpoint(dirpath="all_checkpoints/"+args.filename+"/", filename='{epoch:02d}', every_n_epochs=args.save_every_n_epochs, save_top_k=-1)) if len(args.devices.split(',')) > 1: if args.strategy == 'ddp': find_unused_parameters = (not args.ptm) or (not args.lm) strategy = strategies.DDPStrategy(start_method='spawn', find_unused_parameters=find_unused_parameters) elif args.strategy == 'deepspeed': # strategy = strategies.DeepSpeedStrategy(stage=2) strategy = MyDeepSpeedStrategy(stage=2) else: raise NotImplementedError() # strategy = strategies.FSDPStrategy() else: strategy = None args.devices = eval(args.devices) print(args.devices) if args.use_wandb_logger: Path(f'./all_checkpoints/{args.filename}/wandb').mkdir(parents=True, exist_ok=True) logger = WandbLogger(project=args.filename, save_dir=f'./all_checkpoints/{args.filename}/') else: logger = CSVLogger(save_dir=f'./all_checkpoints/{args.filename}/') trainer = Trainer(accelerator=args.accelerator, devices=args.devices, precision=args.precision, max_epochs=args.max_epochs, check_val_every_n_epoch=args.check_val_every_n_epoch, callbacks=callbacks, strategy=strategy, logger=logger, #limit_train_batches=100, ) if args.mode == 'train': trainer.fit(model, datamodule=dm) elif args.mode == 'eval': trainer.fit_loop.epoch_progress.current.completed = 49 ## avoid xxx trainer.validate(model, datamodule=dm) else: raise NotImplementedError() if __name__ == '__main__': parser = argparse.ArgumentParser() parser.add_argument('--filename', type=str, default="prot_st_test") parser.add_argument('--seed', type=int, default=42, help='random seed') parser.add_argument('--mode', type=str, default='train') parser.add_argument('--strategy', type=str, default='deepspeed') ## trainer arguments parser.add_argument('--accelerator', type=str, default='gpu') parser.add_argument('--devices', type=str, default='6,7') parser.add_argument('--precision', type=str, default='bf16') parser.add_argument('--max_epochs', type=int, default=20) parser.add_argument('--check_val_every_n_epoch', type=int, default=1) parser.add_argument('--use_wandb_logger', action='store_true', default=False) parser = PLProtClap.add_model_specific_args(parser) # add model args parser = Stage1DM.add_model_specific_args(parser) args = parser.parse_args() print("=========================================") for k, v in sorted(vars(args).items()): print(k, '=', v) print("=========================================") main(args)