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Numbers are based on the old 2007 paper implementation and no longer correspond perfectly to the implementation following the 2008 Comput. Phys. Commun. paper (please don't ask me why). I will fix this at a later date when I hate the thermostat less.
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Please check also that the seed is independent for the different MPI tasks. This was not an issue for the serial but could be for MPI.
I agree that this could be an issue in general, but in this specific case the scaling is done globally with the same factor across all MPI ranks by design. I actually just generate the N(0, 1) and χ²(3N - 1) numbers on the root rank and broadcast them to the others, to make sure they are always identical.
Numbers are based on the old 2007 paper implementation and no longer correspond perfectly to the implementation following the 2008 Comput. Phys. Commun. paper (please don't ask me why). I will fix this at a later date when I hate the thermostat less.
The text was updated successfully, but these errors were encountered: