diff --git a/cmake/external/pybind11.cmake b/cmake/external/pybind11.cmake
index 457be2ff20e4a..27b62c968a88d 100644
--- a/cmake/external/pybind11.cmake
+++ b/cmake/external/pybind11.cmake
@@ -27,7 +27,7 @@ set(PYBIND_PATCH_COMMAND "")
 if(LINUX
    AND (CMAKE_CXX_COMPILER_ID STREQUAL "GNU")
    AND CMAKE_CXX_COMPILER_VERSION VERSION_LESS 9)
-  set(PYBIND_TAG v2.13.6)
+  set(PYBIND_TAG v3.0.0)
   file(TO_NATIVE_PATH
        ${PADDLE_SOURCE_DIR}/patches/pybind/detail/internals.h.patch native_dst)
   # Note: [Why calling some `git` commands before `patch`?]
diff --git a/patches/pybind/detail/internals.h.patch b/patches/pybind/detail/internals.h.patch
index 7bd1317335950..2cc6566fed35e 100644
--- a/patches/pybind/detail/internals.h.patch
+++ b/patches/pybind/detail/internals.h.patch
@@ -1,22 +1,19 @@
 diff --git a/include/pybind11/detail/internals.h b/include/pybind11/detail/internals.h
-index 232bc32d..b6491c11 100644
+index ad2ff74c..bc4731c6 100644
 --- a/include/pybind11/detail/internals.h
 +++ b/include/pybind11/detail/internals.h
-@@ -203,11 +203,18 @@ struct internals {
-     PyTypeObject *static_property_type;
-     PyTypeObject *default_metaclass;
-     PyObject *instance_base;
+@@ -120,7 +120,14 @@ public:
+     }
+ 
+ private:
 +#if defined(__GNUC__) && !defined(__clang__) && __GNUC__ <= 8
 +#    pragma GCC diagnostic push
 +#    pragma GCC diagnostic ignored "-Wmissing-field-initializers"
 +#endif
-     // Unused if PYBIND11_SIMPLE_GIL_MANAGEMENT is defined:
-     PYBIND11_TLS_KEY_INIT(tstate)
- #if PYBIND11_INTERNALS_VERSION > 4
-     PYBIND11_TLS_KEY_INIT(loader_life_support_tls_key)
- #endif // PYBIND11_INTERNALS_VERSION > 4
+     PYBIND11_TLS_KEY_INIT(mutable key_)
 +#if defined(__GNUC__) && !defined(__clang__) && __GNUC__ <= 8
 +#    pragma GCC diagnostic pop
 +#endif
-     // Unused if PYBIND11_SIMPLE_GIL_MANAGEMENT is defined:
-     PyInterpreterState *istate = nullptr;
\ No newline at end of file
+ };
+ 
+ PYBIND11_NAMESPACE_BEGIN(detail)
diff --git a/third_party/pybind b/third_party/pybind
index a2e59f0e70654..ed5057ded698e 160000
--- a/third_party/pybind
+++ b/third_party/pybind
@@ -1 +1 @@
-Subproject commit a2e59f0e7065404b44dfe92a28aca47ba1378dc4
+Subproject commit ed5057ded698e305210269dafa57574ecf964483