chore: refactor default upper limit in binary search

Author: SchrodingersCattt

lambench/tasks/calculator/inference_efficiency/efficiency_utils.py

@@ -78,7 +78,7 @@ def find_even_factors(num: int) -> tuple[int, int, int]:
 
 
 def binary_search_max_natoms(
-    model: ASEModel, atoms: Atoms, upper_limit: int = 1000, max_iterations: int = 15
+    model: ASEModel, atoms: Atoms, upper_limit: int, max_iterations: int = 15
 ) -> int:
     """
     Binary search for the maximum number of atoms that can be processed by the model.

lambench/tasks/calculator/inference_efficiency/inference_efficiency.py

@@ -16,7 +16,7 @@
 
 
 def run_inference(
-    model: ASEModel, test_data: Path, warmup_ratio: float, natoms_upper_limit: int
+    model: ASEModel, test_data: Path, warmup_ratio: float, natoms_upper_limit: int = 1000,
 ) -> dict[str, dict[str, float]]:
     """
     Inference for all trajectories, return average time and success rate for each system.