8000 Increased maximum number of runs to 8192 by atillack · Pull Request #233 · ccsb-scripps/AutoDock-GPU · GitHub
[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

Increased maximum number of runs to 8192 #233

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

Merged
merged 5 commits into from
Nov 16, 2023

Conversation

atillack
Copy link
Member

This PR increases the maximum number of runs from 1000 to 8192. Besides simply changing the MAX_NUM_OF_RUNS define, in order for Cuda not to waste GPU memory it now, like OpenCL, allocates memory based on the actual settings of the number of runs and the population size instead of their max values.

This requires a little bit of additional testing on the Cuda side.

@atillack atillack requested a review from althea-hansel August 18, 2023 16:37
@diogomart
Copy link
Member

E50s for cuda version with 100 runs look good, approving.

79f13c7-ocl-128wi_vs_PR233-406d169-cuda-128wi-overlap

@atillack
Copy link
Member Author

@diogomart Thank you very much! Merging.

@atillack atillack merged commit 5f73e1b into ccsb-scripps:develop Nov 16, 2023
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.

3 participants
0