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fix(pt): improve out-of-memory handling #3836

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May 31, 2024
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9 changes: 8 additions & 1 deletion deepmd/pt/utils/auto_batch_size.py
Original file line number Diff line number Diff line change
Expand Up @@ -52,7 +52,14 @@ def is_oom_error(self, e: Exception) -> bool:
e : Exception
Exception
"""
return isinstance(e, RuntimeError) and "CUDA out of memory." in e.args[0]
# several sources think CUSOLVER_STATUS_INTERNAL_ERROR is another out-of-memory error,
# such as https://github.com/JuliaGPU/CUDA.jl/issues/1924
# (the meaningless error message should be considered as a bug in cusolver)
if isinstance(e, RuntimeError) and ("CUDA out of memory." in e.args[0] or "cusolver error: CUSOLVER_STATUS_INTERNAL_ERROR" in e.args[0]):
# Release all unoccupied cached memory
torch.cuda.empty_cache()
return True
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return False

def execute_all(
self, callable: Callable, total_size: int, natoms: int, *args, **kwargs
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