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5 changes: 5 additions & 0 deletions deepmd/utils/batch_size.py
Original file line number Diff line number Diff line change
Expand Up @@ -61,6 +61,11 @@ def __init__(self, initial_batch_size: int = 1024, factor: float = 2.0) -> None:
self.maximum_working_batch_size = initial_batch_size
if self.is_gpu_available():
self.minimal_not_working_batch_size = 2**31
log.info(
"If you encounter the error 'an illegal memory access was encountered', this may be due to a TensorFlow issue. "
"To avoid this, set the environment variable DP_INFER_BATCH_SIZE to a smaller value than the last adjusted batch size. "
"The environment variable DP_INFER_BATCH_SIZE controls the inference batch size (nframes * natoms). "
)
else:
self.minimal_not_working_batch_size = (
self.maximum_working_batch_size + 1
Expand Down