Skip to content

Use a deque to keep track of more recent time estimates #989

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

Closed
sroet wants to merge 3 commits into from
Closed

Use a deque to keep track of more recent time estimates #989

Changes from 1 commit
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
47f76d4
only use the last 10000 steps for the time estimate
sroet Mar 2, 2021
6a8485c
remove nose from test_tools.py
sroet Mar 2, 2021
babd276
actually use deq for the time estimate
sroet Mar 2, 2021
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
Prev Previous commit
actually use deq for the time estimate
  • Loading branch information
@sroet
sroet committed Mar 2, 2021
commit babd276df8ae13454b47a44870d2233e0f85982b
8 changes: 5 additions & 3 deletions openpathsampling/pathsimulators/path_sampling.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -254,19 +254,21 @@ def run(self, n_steps):
self.step += 1
logger.info("Beginning MC cycle " + str(self.step))
refresh = self.allow_refresh
now = time.time()
if nn > 0:
deq.append(now-time_start)

if self.step % self.status_update_frequency == 0:
# do we visualize this step?
if self.live_visualizer is not None and mcstep is not None:
# do we visualize at all?
self.live_visualizer.draw_ipynb(mcstep)
refresh = False

now = time.time()
elapsed = now - initial_time

if nn > 0:
deq.append(now-time_start)
time_per_step = elapsed / nn
time_per_step = sum(deq) / len(deq)
else:
time_per_step = 1.0

Expand Down