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.

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

use a local context cache instead of a global one #849

Merged
merged 5 commits into from Aug 27, 2021

Conversation

mikemhenry
Copy link
Contributor

Description

Instead of using the global context cache (which is the default) create a instance of the context cache and use that for all the mcmc move types. I also updated an example code snippet as well.

Motivation and context

See this issue #613 (comment)

How has this been tested?

Tested on CI, issue linked above also shows that this fix works for large systems.

Change log

Use an instance of ContextCache instead of the default global instance.

@codecov
Copy link

codecov bot commented Aug 24, 2021

Codecov Report

Merging #849 (7f682cd) into master (ba3e04e) will increase coverage by 0.00%.
The diff coverage is 66.66%.

@mikemhenry mikemhenry added this to the 0.9.2 Bugfix Release milestone Aug 26, 2021
Copy link
Contributor

@ijpulidos ijpulidos left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Yes, this works! Great!. We just have to keep an eye on issues with different (larger?) systems, but I believe an issue is already created for that in the openmmtools repo.

@mikemhenry mikemhenry merged commit 82dd766 into master Aug 27, 2021
@mikemhenry mikemhenry deleted the fix/create_context_cache branch August 27, 2021 17:42
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants