From 47412da3de58fe92c7f7c12cbcb67220ed96cde2 Mon Sep 17 00:00:00 2001
From: HydrogenSulfate <490868991@qq.com>
Date: Tue, 24 Dec 2024 01:50:09 +0800
Subject: [PATCH] pd: add missing `dp.eval()` in pd backend (#4488)

Switch to eval mode when evaluating model, otherwise `self.training`
will be `True`, backward graph will be created and cause OOM

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **New Features**
- Enhanced model evaluation state management to ensure correct behavior
during evaluation.

- **Bug Fixes**
- Improved type consistency in the `normalize_coord` function for better
computational accuracy.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->
---
 deepmd/pd/infer/deep_eval.py | 1 +
 deepmd/pd/utils/region.py    | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

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)