Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Warm up before calculating timings #359

Merged
merged 1 commit into from
Oct 15, 2024
Merged

Warm up before calculating timings #359

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
13 changes: 13 additions & 0 deletions src/metatrain/cli/eval.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -206,6 +206,19 @@ def _eval_targets(
total_time = 0.0
timings_per_atom = []

# Warm up with a single batch 5 times (to get accurate timings later)
batch = next(iter(dataloader))
systems = batch[0]
systems = [system.to(dtype=dtype, device=device) for system in systems]
for _ in range(5):
evaluate_model(
model,
systems,
options,
is_training=False,
check_consistency=check_consistency,
)

# Evaluate the model
for batch in dataloader:
systems, batch_targets = batch
Expand Down
Loading