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Feature #2888

Feature #2816: Device-side update&constraits, buffer ops and multi-gpu comms

CUDA Update and Constraints module

Added by Artem Zhmurov about 2 months ago. Updated about 1 month ago.

Status:
New
Priority:
Normal
Assignee:
Category:
-
Target version:
Difficulty:
uncategorized
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Description

  • LINCS for non-water constraints.
  • SETTLE for water constraints.
  • Leap frog integrator.
  • Merge of the three into single module.
  • Remove the scaffolding from LINCS, SETTLE and Leap-Frog:
    • Coordinates, velocities, forces management.
    • PBC management.
    • Virial reduction.
    • Update tests.
    • Remove Impl.

Related issues

Related to GROMACS - Feature #2885: CUDA version of LINCSNew
Related to GROMACS - Feature #2886: CUDA version of SETTLENew
Related to GROMACS - Feature #2887: CUDA version of Leap Frog algorithmNew

History

#1 Updated by Artem Zhmurov about 2 months ago

#2 Updated by Artem Zhmurov about 1 month ago

#3 Updated by Artem Zhmurov about 1 month ago

  • Related to Feature #2887: CUDA version of Leap Frog algorithm added

#4 Updated by Artem Zhmurov about 1 month ago

  • Description updated (diff)

I have LINCS with some tests for it, SETTLE with some tests for it and Leap-Frog integrator with some tests for it. Now I combine them into one "Update and Constrain" module. Any ideas for the test that the merge was successful?

#5 Updated by Artem Zhmurov about 1 month ago

  • Subject changed from CUDA GPU-only loop to CUDA Update and Constraints module
  • Description updated (diff)

#6 Updated by Gerrit Code Review Bot about 1 month ago

Gerrit received a related patchset '4' for Issue #2888.
Uploader: Artem Zhmurov ()
Change-Id: gromacs~master~I8730aad0ecaa0230686fe89d1157b0da2f01f7bc
Gerrit URL: https://gerrit.gromacs.org/9329

#7 Updated by Artem Zhmurov about 1 month ago

  • Description updated (diff)

#8 Updated by Artem Zhmurov about 1 month ago

  • Description updated (diff)

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