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# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
#
# Permission is hereby granted, free of charge, to any person obtaining a
# copy of this software and associated documentation files (the "Software"),
# to deal in the Software without restriction, including without limitation
# the rights to use, copy, modify, merge, publish, distribute, sublicense,
# and/or sell copies of the Software, and to permit persons to whom the
# Software is furnished to do so, subject to the following conditions:
#
# The above copyright notice and this permission notice shall be included in
# all copies or substantial portions of the Software.
#
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES
# SPDX-License-Identifier: MIT
from typing import List
import torch
import torch.nn as nn
from torch.nn.parallel import DistributedDataParallel
from torch.utils.data import DataLoader
from tqdm import tqdm
from se3_transformer.runtime import gpu_affinity
from se3_transformer.runtime.arguments import PARSER
from se3_transformer.runtime.callbacks import BaseCallback
from se3_transformer.runtime.loggers import DLLogger
from se3_transformer.runtime.utils import to_cuda, get_local_rank
@torch.inference_mode()
def evaluate(model: nn.Module,
dataloader: DataLoader,
callbacks: List[BaseCallback],
args):
model.eval()
for i, batch in tqdm(enumerate(dataloader), total=len(dataloader), unit='batch', desc=f'Evaluation',
leave=False, disable=(args.silent or get_local_rank() != 0)):
*input, target = to_cuda(batch)
for callback in callbacks:
callback.on_batch_start()
with torch.cuda.amp.autocast(enabled=args.amp):
pred = model(*input)
for callback in callbacks:
callback.on_validation_step(input, target, pred)
if __name__ == '__main__':
from se3_transformer.runtime.callbacks import QM9MetricCallback, PerformanceCallback
from se3_transformer.runtime.utils import init_distributed, seed_everything
from se3_transformer.model import SE3TransformerPooled, Fiber
from se3_transformer.data_loading import QM9DataModule
import torch.distributed as dist
import logging
import sys
is_distributed = init_distributed()
local_rank = get_local_rank()
args = PARSER.parse_args()
logging.getLogger().setLevel(logging.CRITICAL if local_rank != 0 or args.silent else logging.INFO)
logging.info('====== SE(3)-Transformer ======')
logging.info('| Inference on the test set |')
logging.info('===============================')
if not args.benchmark and args.load_ckpt_path is None:
logging.error('No load_ckpt_path provided, you need to provide a saved model to evaluate')
sys.exit(1)
if args.benchmark:
logging.info('Running benchmark mode with one warmup pass')
if args.seed is not None:
seed_everything(args.seed)
major_cc, minor_cc = torch.cuda.get_device_capability()
logger = DLLogger(args.log_dir, filename=args.dllogger_name)
datamodule = QM9DataModule(**vars(args))
model = SE3TransformerPooled(
fiber_in=Fiber({0: datamodule.NODE_FEATURE_DIM}),
fiber_out=Fiber({0: args.num_degrees * args.num_channels}),
fiber_edge=Fiber({0: datamodule.EDGE_FEATURE_DIM}),
output_dim=1,
tensor_cores=(args.amp and major_cc >= 7) or major_cc >= 8, # use Tensor Cores more effectively
**vars(args)
)
callbacks = [QM9MetricCallback(logger, targets_std=datamodule.targets_std, prefix='test')]
model.to(device=torch.cuda.current_device())
if args.load_ckpt_path is not None:
checkpoint = torch.load(str(args.load_ckpt_path), map_location={'cuda:0': f'cuda:{local_rank}'})
model.load_state_dict(checkpoint['state_dict'])
if is_distributed:
nproc_per_node = torch.cuda.device_count()
affinity = gpu_affinity.set_affinity(local_rank, nproc_per_node)
model = DistributedDataParallel(model, device_ids=[local_rank], output_device=local_rank)
test_dataloader = datamodule.test_dataloader() if not args.benchmark else datamodule.train_dataloader()
evaluate(model,
test_dataloader,
callbacks,
args)
for callback in callbacks:
callback.on_validation_end()
if args.benchmark:
world_size = dist.get_world_size() if dist.is_initialized() else 1
callbacks = [PerformanceCallback(logger, args.batch_size * world_size, warmup_epochs=1, mode='inference')]
for _ in range(6):
evaluate(model,
test_dataloader,
callbacks,
args)
callbacks[0].on_epoch_end()
callbacks[0].on_fit_end()
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