Ensure that users select different seeds for partitions in MuVT Gibbs groups. Use the seed from the root of the group for random numbers that must be the same across the group.
Motivation and context
Prior to this change MuVTrequired that users choose the same seed for all partitions participating in the same Gibbs ensemble group. Doing so results in correlated local moves in the separate simulation boxes.
How has this been tested?
I tested the fix locally. Setting identical seeds within the Gibbs groups causes the error. Setting different seeds no longer causes an MPI_Recv error.
Description
Ensure that users select different seeds for partitions in MuVT Gibbs groups. Use the seed from the root of the group for random numbers that must be the same across the group.
Motivation and context
Prior to this change
MuVTrequired that users choose the same seed for all partitions participating in the same Gibbs ensemble group. Doing so results in correlated local moves in the separate simulation boxes.How has this been tested?
I tested the fix locally. Setting identical seeds within the Gibbs groups causes the error. Setting different seeds no longer causes an
MPI_Recverror.Checklist:
sphinx-doc/credits.rst) in the pull request source branch.CHANGELOG.rstfollowing the established format.