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Task #2979

Reconsider default 1 OpenMP thread per thread-MPI rank

Added by Berk Hess 30 days ago.

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

We always have 1 OpenMP thread per thread-MPI rank by default. This is best at small/medium rank and simple. But with 128 core nodes, this might no longer be the best. It might even limit the system size when we will soon communicate the whole tpr as one chunk of memory.

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