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Merge pull request #1 from mabraham/patch-1
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Update INSTRUCTIONS.md
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GiovanniBussi authored Jan 24, 2025
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Expand Up @@ -258,8 +258,8 @@ Check the resulting acceptance. Since the Hamiltonians are identical, the accept
Notice that whereas this is formally true there might be numerical issues that make this test fail.
Specifically:

- Dynamic load balancing (can be switched off with `-nodlb`)
- When using GPUs or a large number of MPI processes, GROMACS might also optimize the PME calculation dynamically, altering the acceptacte in this case (can be switched off with `notunepme`).
- Dynamic load balancing (can be switched off with `mdrun -dlb no`)
- When using GPUs or a large number of MPI processes, GROMACS might also optimize the PME calculation dynamically, altering the acceptacte in this case (can be switched off with `mdrun -notunepme`).

See also [here](https://github.com/plumed/plumed2/issues/1177) on GitHub for a discussion of this issue.

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