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Bug #3068

Misleading warning on rerun

Added by Semen Yesylevskyy 4 months ago.

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

When doing `mdrun -rerun` with multiple energy groups the following warning is issued:

Multiple energy groups is not implemented for GPUs, falling back to the CPU. For better performance, run on the GPU without energy groups and then do gmx mdrun -rerun option on the trajectory with an energy group .tpr file.

However, this is already a rerun i.e. this warning ask one to do what the user is already doing. This is misleading, especially for inexperienced users. This warning should not be issued when `-rerun` flag is used.

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