diff --git a/source/tests/common/dpmodel/case_single_frame_with_nlist.py b/source/tests/common/dpmodel/case_single_frame_with_nlist.py
index ecdf3590a8..c260a18527 100644
--- a/source/tests/common/dpmodel/case_single_frame_with_nlist.py
+++ b/source/tests/common/dpmodel/case_single_frame_with_nlist.py
@@ -18,9 +18,10 @@ def setUp(self):
         self.atype = np.array([0, 0, 1], dtype=int).reshape([1, self.nloc])
         self.cell = 2.0 * np.eye(3).reshape([1, 9])
         # sel = [5, 2]
-        self.sel = [5, 2]
-        self.rcut = 0.4
-        self.rcut_smth = 2.2
+        self.sel = [16, 8]
+        self.rcut = 2.2
+        self.rcut_smth = 0.4
+        self.atol = 1e-12
 
 
 class TestCaseSingleFrameWithNlist:
@@ -51,8 +52,10 @@ def setUp(self):
             ],
             dtype=int,
         ).reshape([1, self.nloc, sum(self.sel)])
-        self.rcut = 0.4
-        self.rcut_smth = 2.2
+        self.rcut = 2.2
+        self.rcut_smth = 0.4
+        self.atol = 1e-12
+
         # permutations
         self.perm = np.array([2, 0, 1, 3], dtype=np.int32)
         inv_perm = np.array([1, 2, 0, 3], dtype=np.int32)
diff --git a/source/tests/pt/model/test_dp_model.py b/source/tests/pt/model/test_dp_model.py
index 840ba284e2..c0b152b3d3 100644
--- a/source/tests/pt/model/test_dp_model.py
+++ b/source/tests/pt/model/test_dp_model.py
@@ -65,24 +65,29 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy"]),
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_redu"]),
             to_numpy_array(ret1["energy_redu"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_r"]),
             to_numpy_array(ret1["energy_derv_r"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_c_redu"]),
             to_numpy_array(ret1["energy_derv_c_redu"]),
+            atol=self.atol,
         )
         ret0 = md0.forward_common(*args, do_atomic_virial=True)
         ret1 = md1.forward_common(*args, do_atomic_virial=True)
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_c"]),
             to_numpy_array(ret1["energy_derv_c"]),
+            atol=self.atol,
         )
 
         coord_ext, atype_ext, mapping = extend_coord_with_ghosts(
@@ -106,6 +111,7 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_c_redu"]),
             to_numpy_array(ret2["energy_derv_c_redu"]),
+            atol=self.atol,
         )
 
     def test_dp_consistency(self):
@@ -141,10 +147,12 @@ def test_dp_consistency(self):
         np.testing.assert_allclose(
             ret0["energy"],
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             ret0["energy_redu"],
             to_numpy_array(ret1["energy_redu"]),
+            atol=self.atol,
         )
 
     def test_dp_consistency_nopbc(self):
@@ -180,10 +188,12 @@ def test_dp_consistency_nopbc(self):
         np.testing.assert_allclose(
             ret0["energy"],
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             ret0["energy_redu"],
             to_numpy_array(ret1["energy_redu"]),
+            atol=self.atol,
         )
 
     def test_prec_consistency(self):
@@ -231,6 +241,7 @@ def test_prec_consistency(self):
             np.testing.assert_allclose(
                 to_numpy_array(model_l_ret_32[ii]),
                 to_numpy_array(model_l_ret_64[ii]),
+                atol=self.atol,
             )
 
 
@@ -263,24 +274,29 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy"]),
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_redu"]),
             to_numpy_array(ret1["energy_redu"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_r"]),
             to_numpy_array(ret1["energy_derv_r"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_c_redu"]),
             to_numpy_array(ret1["energy_derv_c_redu"]),
+            atol=self.atol,
         )
         ret0 = md0.forward_common_lower(*args, do_atomic_virial=True)
         ret1 = md1.forward_common_lower(*args, do_atomic_virial=True)
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy_derv_c"]),
             to_numpy_array(ret1["energy_derv_c"]),
+            atol=self.atol,
         )
 
     def test_dp_consistency(self):
@@ -310,10 +326,12 @@ def test_dp_consistency(self):
         np.testing.assert_allclose(
             ret0["energy"],
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             ret0["energy_redu"],
             to_numpy_array(ret1["energy_redu"]),
+            atol=self.atol,
         )
 
     def test_prec_consistency(self):
@@ -363,6 +381,7 @@ def test_prec_consistency(self):
             np.testing.assert_allclose(
                 to_numpy_array(model_l_ret_32[ii]),
                 to_numpy_array(model_l_ret_64[ii]),
+                atol=self.atol,
             )
 
     def test_jit(self):
@@ -447,7 +466,7 @@ def test_nlist_eq(self):
             to_torch_tensor(self.atype_ext),
             to_torch_tensor(nlist),
         )
-        np.testing.assert_allclose(self.expected_nlist, to_numpy_array(nlist1))
+        np.testing.assert_equal(self.expected_nlist, to_numpy_array(nlist1))
 
     def test_nlist_st(self):
         # n_nnei < nnei
@@ -464,7 +483,7 @@ def test_nlist_st(self):
             to_torch_tensor(self.atype_ext),
             to_torch_tensor(nlist),
         )
-        np.testing.assert_allclose(self.expected_nlist, to_numpy_array(nlist1))
+        np.testing.assert_equal(self.expected_nlist, to_numpy_array(nlist1))
 
     def test_nlist_lt(self):
         # n_nnei > nnei
@@ -481,7 +500,7 @@ def test_nlist_lt(self):
             to_torch_tensor(self.atype_ext),
             to_torch_tensor(nlist),
         )
-        np.testing.assert_allclose(self.expected_nlist, to_numpy_array(nlist1))
+        np.testing.assert_equal(self.expected_nlist, to_numpy_array(nlist1))
 
 
 class TestEnergyModel(unittest.TestCase, TestCaseSingleFrameWithoutNlist):
@@ -511,24 +530,29 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["atom_energy"]),
             to_numpy_array(ret1["atom_energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy"]),
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["force"]),
             to_numpy_array(ret1["force"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["virial"]),
             to_numpy_array(ret1["virial"]),
+            atol=self.atol,
         )
         ret0 = md0.forward(*args, do_atomic_virial=True)
         ret1 = md1.forward(*args, do_atomic_virial=True)
         np.testing.assert_allclose(
             to_numpy_array(ret0["atom_virial"]),
             to_numpy_array(ret1["atom_virial"]),
+            atol=self.atol,
         )
         coord_ext, atype_ext, mapping, nlist = extend_input_and_build_neighbor_list(
             to_torch_tensor(self.coord),
@@ -545,6 +569,7 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["virial"]),
             to_numpy_array(ret2["virial"]),
+            atol=self.atol,
         )
 
 
@@ -577,24 +602,29 @@ def test_self_consistency(self):
         np.testing.assert_allclose(
             to_numpy_array(ret0["atom_energy"]),
             to_numpy_array(ret1["atom_energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["energy"]),
             to_numpy_array(ret1["energy"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["extended_force"]),
             to_numpy_array(ret1["extended_force"]),
+            atol=self.atol,
         )
         np.testing.assert_allclose(
             to_numpy_array(ret0["virial"]),
             to_numpy_array(ret1["virial"]),
+            atol=self.atol,
         )
         ret0 = md0.forward_lower(*args, do_atomic_virial=True)
         ret1 = md1.forward_lower(*args, do_atomic_virial=True)
         np.testing.assert_allclose(
             to_numpy_array(ret0["extended_virial"]),
             to_numpy_array(ret1["extended_virial"]),
+            atol=self.atol,
         )
 
     def test_jit(self):
diff --git a/source/tests/pt/model/test_env_mat.py b/source/tests/pt/model/test_env_mat.py
index fee3fd6fea..615e7c6230 100644
--- a/source/tests/pt/model/test_env_mat.py
+++ b/source/tests/pt/model/test_env_mat.py
@@ -43,8 +43,8 @@ def setUp(self):
             ],
             dtype=int,
         ).reshape([1, self.nloc, sum(self.sel)])
-        self.rcut = 0.4
-        self.rcut_smth = 2.2
+        self.rcut = 2.2
+        self.rcut_smth = 0.4
         # permutations
         self.perm = np.array([2, 0, 1, 3], dtype=np.int32)
         inv_perm = np.array([1, 2, 0, 3], dtype=np.int32)
@@ -61,6 +61,7 @@ def setUp(self):
         nlist1 = inv_perm[nlist1]
         nlist1 = np.where(mask, -1, nlist1)
         self.nlist = np.concatenate([self.nlist, nlist1], axis=0)
+        self.atol = 1e-12
 
 
 class TestCaseSingleFrameWithoutNlist:
@@ -79,9 +80,10 @@ def setUp(self):
         self.atype = np.array([0, 0, 1], dtype=int).reshape([1, self.nloc])
         self.cell = 2.0 * np.eye(3).reshape([1, 9])
         # sel = [5, 2]
-        self.sel = [5, 2]
-        self.rcut = 0.4
-        self.rcut_smth = 2.2
+        self.sel = [16, 8]
+        self.rcut = 2.2
+        self.rcut_smth = 0.4
+        self.atol = 1e-12
 
 
 # to be merged with the tf test case