diff --git a/deepmd/pd/infer/deep_eval.py b/deepmd/pd/infer/deep_eval.py index a2f8510f28..c31170ad71 100644 --- a/deepmd/pd/infer/deep_eval.py +++ b/deepmd/pd/infer/deep_eval.py @@ -113,6 +113,7 @@ def __init__( else: # self.dp = paddle.jit.load(self.model_path.split(".json")[0]) raise ValueError(f"Unknown model file format: {self.model_path}!") + self.dp.eval() self.rcut = self.dp.model["Default"].get_rcut() self.type_map = self.dp.model["Default"].get_type_map() if isinstance(auto_batch_size, bool): diff --git a/deepmd/pd/utils/region.py b/deepmd/pd/utils/region.py index f3e3eaa52d..d2600ef16e 100644 --- a/deepmd/pd/utils/region.py +++ b/deepmd/pd/utils/region.py @@ -108,5 +108,5 @@ def normalize_coord( """ icoord = phys2inter(coord, cell) - icoord = paddle.remainder(icoord, paddle.full([], 1.0)) + icoord = paddle.remainder(icoord, paddle.full([], 1.0, dtype=icoord.dtype)) return inter2phys(icoord, cell)