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Feature #3426

Feature #3417: Make modular simulator feature-complete

Support acceleration in modular simulator

Added by Pascal Merz 8 months ago. Updated 8 months ago.

Status:
New
Priority:
Normal
Assignee:
Category:
mdrun
Difficulty:
uncategorized
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Description

Decide which acceleration schemes should be supported (cf. #1354). Implement supported acceleration in modular simulator propagators.


Related issues

Related to GROMACS - Bug #1354: Constant acceleration NEMD is broken.New
Related to GROMACS - Feature #3428: Implement SIMD version of modular simulator propagatorsNew

History

#1 Updated by Pascal Merz 8 months ago

  • Related to Bug #1354: Constant acceleration NEMD is broken. added

#2 Updated by Pascal Merz 8 months ago

  • Related to Feature #3428: Implement SIMD version of modular simulator propagators added

#3 Updated by Pascal Merz 8 months ago

Mark has a patch on gerrit to remove constant acceleration: https://gerrit.gromacs.org/c/gromacs/+/8944

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