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Task #3255

Move benchmarking options from mdrun to a dedicated tool

Added by Eric Irrgang 9 months ago. Updated 9 months ago.

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

Deprecated in GROMACS 2019, options such as -confout, -resethway, -resetstep are not intended for use by regular mdrun users, so making them only available with a dedicated tool is more clear. Also, this permits us to customize defaults for e.g. writing files at the end of a simulation part in ways that suit the respective mdrun and benchmark use cases, so -confout will no longer be required.

History

#1 Updated by Eric Irrgang 9 months ago

  • Private changed from Yes to No

#2 Updated by Berk Hess 9 months ago

  • Subject changed from Remove benchmarking options from mdrun to Move benchmarking options from mdrun to a dedicated tool

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