def main(config):
if args.distributed:
distutils.setup(config)
try:
setup_imports()
trainer = registry.get_trainer_class(config.get("trainer", "simple"))(
task=config["task"],
model=config["model"],
dataset=config["dataset"],
optimizer=config["optim"],
identifier=config["identifier"],
run_dir=config.get("run_dir", "./"),
is_debug=config.get("is_debug", False),
is_vis=config.get("is_vis", False),
print_every=config.get("print_every", 10),
seed=config.get("seed", 0),
logger=config.get("logger", "tensorboard"),
local_rank=config["local_rank"],
amp=config.get("amp", False),
cpu=config.get("cpu", False),
)
if config["checkpoint"] is not None:
trainer.load_pretrained(config["checkpoint"])
start_time = time.time()
if config["mode"] == "train":
trainer.train()
elif config["mode"] == "predict":
assert (
trainer.test_loader
is not None), "Test dataset is required for making predictions"
assert config["checkpoint"]
results_file = "predictions"
trainer.predict(
trainer.test_loader,
results_file=results_file,
disable_tqdm=False,
)
elif config["mode"] == "run-relaxations":
assert isinstance(
trainer, ForcesTrainer
), "Relaxations are only possible for ForcesTrainer"
assert (trainer.relax_dataset is not None
), "Relax dataset is required for making predictions"
assert config["checkpoint"]
trainer.run_relaxations()
distutils.synchronize()
if distutils.is_master():
print("Total time taken = ", time.time() - start_time)
finally:
if args.distributed:
distutils.cleanup()
def __call__(self, config):
setup_logging()
self.config = copy.deepcopy(config)
if args.distributed:
distutils.setup(config)
try:
setup_imports()
self.trainer = registry.get_trainer_class(
config.get("trainer", "simple"))(
task=config["task"],
model=config["model"],
dataset=config["dataset"],
optimizer=config["optim"],
identifier=config["identifier"],
timestamp_id=config.get("timestamp_id", None),
run_dir=config.get("run_dir", "./"),
is_debug=config.get("is_debug", False),
is_vis=config.get("is_vis", False),
print_every=config.get("print_every", 10),
seed=config.get("seed", 0),
logger=config.get("logger", "tensorboard"),
local_rank=config["local_rank"],
amp=config.get("amp", False),
cpu=config.get("cpu", False),
slurm=config.get("slurm", {}),
)
self.task = registry.get_task_class(config["mode"])(self.config)
self.task.setup(self.trainer)
start_time = time.time()
self.task.run()
distutils.synchronize()
if distutils.is_master():
logging.info(f"Total time taken: {time.time() - start_time}")
finally:
if args.distributed:
distutils.cleanup()
def distributed_main(config):
distutils.setup(config)
main(config)
distutils.cleanup()
