[Paddle Backend] Support GPU train/test/inference/LAMMPS with PaddleP…

…addle backend for water se_e2_a(revert code format) (#3078) Summary can be previewed in README.md Co-authored-by: zhouwei25 <[email protected]> Co-authored-by: JiabinYang <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Zhanlue Yang <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
deepmodeling · Dec 21, 2023 · 36e0082 · 36e0082
1 parent 6170356
commit 36e0082
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diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -48,10 +48,10 @@ repos:
     -   id: clang-format
         exclude: ^source/3rdparty|source/lib/src/cuda/cudart/.+\.inc
 # CSS
--   repo: https://github.com/pre-commit/mirrors-csslint
-    rev: v1.0.5
-    hooks:
-    -   id: csslint
+# -   repo: https://github.com/pre-commit/mirrors-csslint
+#     rev: v1.0.5
+#     hooks:
+#     -   id: csslint
 # Shell
 - repo: https://github.com/scop/pre-commit-shfmt
   rev: v3.6.0-2

diff --git a/README.md b/README.md
diff --git a/deepmd/common.py b/deepmd/common.py
@@ -28,8 +28,10 @@
 
 from deepmd.env import (
     GLOBAL_NP_FLOAT_PRECISION,
+    GLOBAL_PD_FLOAT_PRECISION,
     GLOBAL_TF_FLOAT_PRECISION,
     op_module,
+    paddle,
     tf,
 )
 from deepmd.utils.path import (
@@ -50,11 +52,11 @@
 
 # define constants
 PRECISION_DICT = {
-    "default": GLOBAL_TF_FLOAT_PRECISION,
-    "float16": tf.float16,
-    "float32": tf.float32,
-    "float64": tf.float64,
-    "bfloat16": tf.bfloat16,
+    "default": GLOBAL_PD_FLOAT_PRECISION,
+    "float16": paddle.float16,
+    "float32": paddle.float32,
+    "float64": paddle.float64,
+    "bfloat16": paddle.bfloat16,
 }
 
 
@@ -119,11 +121,11 @@ def gelu_wrapper(x):
 data_requirement = {}
 
 ACTIVATION_FN_DICT = {
-    "relu": tf.nn.relu,
-    "relu6": tf.nn.relu6,
-    "softplus": tf.nn.softplus,
-    "sigmoid": tf.sigmoid,
-    "tanh": tf.nn.tanh,
+    "relu": paddle.nn.functional.relu,
+    "relu6": paddle.nn.functional.relu6,
+    "softplus": paddle.nn.functional.softplus,
+    "sigmoid": paddle.nn.functional.sigmoid,
+    "tanh": paddle.nn.functional.tanh,
     "gelu": gelu,
     "gelu_tf": gelu_tf,
     "None": None,