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Feature #3350

Feature #3114: Improve GPU update-constraints module

GPU update-constraints performance

Added by Artem Zhmurov 6 months ago. Updated 6 months ago.

Status:
New
Priority:
Normal
Assignee:
Artem Zhmurov
Category:
-
Target version:
2021
Difficulty:
uncategorized
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Subtasks

Task #3337: GPU update-constraints: Merge Leap-Frog, LINCS and SETTLE kernels.NewArtem Zhmurov
Task #3338: GPU update-constraints: Do not save intermediate coordinates if there is no constraintsNewArtem Zhmurov
Task #3339: GPU LINCS: Warp-level synchronization for coupled constraintsNewArtem Zhmurov
Task #3340: GPU LINCS: Move more data to local/shared memoryNewArtem Zhmurov
Task #3341: GPU LINCS: Use analytical solution for the matrix A inversion.NewArtem Zhmurov
Task #3342: GPU SETTLE: Read only one index per water molecule.NewArtem Zhmurov
Task #3343: GPU SETTLE: Use different ordering for matrices.NewArtem Zhmurov
Task #3344: GPU update-constraints: Better virial reduction.NewArtem Zhmurov

History

#1 Updated by Artem Zhmurov 6 months ago

  • Tracker changed from Task to Feature

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