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Log epoch real time in LNNP #231

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Log epoch real time in LNNP #231

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792572f
Log epoch real time in LNNP
RaulPPelaez Oct 10, 2023
cd56f8d
Merge remote-tracking branch 'origin/main' into log_time
RaulPPelaez Oct 10, 2023
bd6bcf6
Small changes
RaulPPelaez Oct 10, 2023
795b8f5
Merge remote-tracking branch 'origin/main' into log_time
RaulPPelaez Jan 19, 2024
6cb018c
Log epoch as an integer
RaulPPelaez Jan 19, 2024
c4da37a
Revert "Log epoch as an integer"
RaulPPelaez Jan 19, 2024
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8 changes: 6 additions & 2 deletions torchmdnet/module.py
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Original file line number Diff line number Diff line change
Expand Up @@ -6,10 +6,10 @@
import torch
from torch.optim import AdamW
from torch.optim.lr_scheduler import ReduceLROnPlateau
from torch.nn.functional import local_response_norm, mse_loss, l1_loss
from torch.nn.functional import mse_loss, l1_loss
from torch import Tensor
from typing import Optional, Dict, Tuple

import time
from lightning import LightningModule
from torchmdnet.models.model import create_model, load_model

Expand Down Expand Up @@ -41,6 +41,8 @@ def __init__(self, hparams, prior_model=None, mean=None, std=None):
self.losses = None
self._reset_losses_dict()

self.tstart = time.time()

def configure_optimizers(self):
optimizer = AdamW(
self.model.parameters(),
Expand Down Expand Up @@ -222,6 +224,7 @@ def on_validation_epoch_end(self):
result_dict = {
"epoch": float(self.current_epoch),
"lr": self.trainer.optimizers[0].param_groups[0]["lr"],
"time": time.time() - self.tstart,
}
result_dict.update(self._get_mean_loss_dict_for_type("total"))
result_dict.update(self._get_mean_loss_dict_for_type("y"))
Expand All @@ -234,6 +237,7 @@ def on_test_epoch_end(self):
# Log all test losses
if not self.trainer.sanity_checking:
result_dict = {}
result_dict["time"] = time.time() - self.tstart
result_dict.update(self._get_mean_loss_dict_for_type("total"))
result_dict.update(self._get_mean_loss_dict_for_type("y"))
result_dict.update(self._get_mean_loss_dict_for_type("neg_dy"))
Expand Down
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