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Bug #3442

continuing mdrun with -deffnm and pulling does not work

Added by Berk Hess 4 months ago. Updated 4 months ago.

Status:
Accepted
Priority:
Normal
Assignee:
-
Category:
mdrun
Target version:
-
Affected version - extra info:
any version before 2020
Affected version:
Difficulty:
uncategorized
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Description

The pull code changes the pull xvg output file names, but the mdrun continuation file name check does not know about this.
What we should do is have mdrun modify all xvg file names with -deffnm instead of have the modules manage it.

History

#1 Updated by Mark Abraham 4 months ago

Or keep what decentralization exists and have mdrun call the modules to update their filename expectations

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