Fix T-move in batched DMC driver.#4902
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T-move info was only set to all the existing walkers (both live and dead) at the beginning of the DMC driver. If branching creates new walkers, these walkers will be running as locality approximation. The fix is to set the handler before each DMC step. A better solution will be moving such meta data out of each walker and keeping them to the driver. This will be done once I get around tho restructure T-move related codes.
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Test this please |
prckent
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Jan 17, 2024
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LGTM
Thanks for tracking this down. Obviously some refactoring needed. I suspect that this will result in reduced variance in the production runs that otherwise appear healthy. We can talk about improved checks, testing, validation once we have "solved" the current instability issues.
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Proposed changes
T-move info was only set to all the existing walkers (both live and dead) at the beginning of the DMC driver. If branching creates new walkers, these walkers will be running as locality approximation. The fix is to set the handler before each DMC step. A better solution will be moving such meta data out of each walker and keeping them to the driver. This will be done once I get around tho restructure T-move related codes.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
bora
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