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Add log line clarifying BinningAutoBatcher is initialization-only in optimize #489

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Merged
CompRhys merged 4 commits into from
Mar 5, 2026
+5 −6
Merged

Add log line clarifying BinningAutoBatcher is initialization-only in optimize #489

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be5087e
Add log line clarifying BinningAutoBatcher is used only for optimizer…
orionarcher Mar 4, 2026
3463ece
Explicitly close trajectory file handles before reopening in reopen_t…
orionarcher Mar 4, 2026
e439fa2
Revert "Explicitly close trajectory file handles before reopening in …
orionarcher Mar 4, 2026
5c3b61d
Fix HDF5 file lock collision in reopen_trajectories
orionarcher Mar 4, 2026
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4 changes: 4 additions & 0 deletions torch_sim/runners.py
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Original file line number Diff line number Diff line change
Expand Up @@ -629,6 +629,10 @@ def optimize[T: OptimState]( # noqa: C901, PLR0915
if isinstance(initial_state, OptimState):
state = initial_state
else:
logger.info(
"optimize: initializing optimizer state via chunked apply "
"(BinningAutoBatcher); InFlightAutoBatcher will be used for optimization"
)
state = _chunked_apply(
init_fn,
initial_state,
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7 changes: 1 addition & 6 deletions torch_sim/trajectory.py
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Original file line number Diff line number Diff line change
Expand Up @@ -186,6 +186,7 @@ def reopen_trajectories(
ValueError: If filenames are not unique
"""
self.finish()
self.trajectories = [] # drop refs so HDF5 finalizes before new opens

filenames = (
[filenames] if isinstance(filenames, (str, pathlib.Path)) else list(filenames)
Expand Down Expand Up @@ -524,12 +525,6 @@ def __init__(
else:
compression = None

# TODO FIX THIS
if hasattr(tables, "file") and (
handles := tables.file._open_files.get_handlers_by_name(str(filename))
):
list(handles)[-1].close()

# create parent directory if it doesn't exist
filename.parent.mkdir(parents=True, exist_ok=True)
self._file = tables.open_file(str(filename), mode=mode, filters=compression)
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