[Dev] fix(moe): Support HybridEP and reduce memory overhead for 1F1B A2A overlap

megatron/core/model_parallel_config.py

@@ -265,6 +265,19 @@ class ModelParallelConfig:
     delay_wgrad_compute: bool = False
     """Delay the weight gradient computation to improve batch-level communication overlapping"""
 
+    ep_overlap_early_attn_memory_release: bool = False
+    """Enable early memory release of attention activations during EP overlap.
+    EP overlap can increase peak memory usage when the overlapped forward module allocates 
+    more memory than what is freed by the backward module. This flag addresses this by 
+    reordering the attention backward pass to occur earlier in the schedule.
+    Specifically:
+    - Without this flag: attn_bwd executes after moe_combine_fwd
+    - With this flag: attn_bwd executes before mlp_fwd
+    The earlier execution releases attention activations sooner, reducing peak memory.
+    Note: This may impact performance as moe_combine_fwd and moe_dispatch_bwd become 
+    exposed (not overlapped with other computation).
+    """
+
     ###################
     # Pipeline Parallel
     ###################

megatron/core/models/common/model_chunk_schedule_plan.py

@@ -77,6 +77,7 @@ def __init__(self, layer, event, chunk_state, comp_stream, comm_stream, extra_ar
         """
         from megatron.core.models.gpt.fine_grained_callables import TransformerLayerState
 
+        self.config = layer.config
         self.layer_state = TransformerLayerState()
         self.chunk_state = chunk_state
         self.layer = layer
@@ -87,6 +88,32 @@ def __init__(self, layer, event, chunk_state, comp_stream, comm_stream, extra_ar
         # get callable nodes for transformer/mtp layer
         self._build_callable_nodes(event, comp_stream, comm_stream, extra_args)
 
+    def release_state(self):
+        """Release reference, this helps avoid memory leak."""
+        if hasattr(self, 'attn') and self.attn is not None:
+            del self.attn
+            self.attn = None
+        if hasattr(self, 'post_attn') and self.post_attn is not None:
+            del self.post_attn
+            self.post_attn = None
+        if hasattr(self, 'moe_dispatch') and self.moe_dispatch is not None:
+            del self.moe_dispatch
+            self.moe_dispatch = None
+        if hasattr(self, 'mlp') and self.mlp is not None:
+            del self.mlp
+            self.mlp = None
+        if hasattr(self, 'moe_combine') and self.moe_combine is not None:
+            del self.moe_combine
+            self.moe_combine = None
+        if hasattr(self, 'mtp_post_process') and self.mtp_post_process is not None:
+            del self.mtp_post_process
+            self.mtp_post_process = None
+        if hasattr(self, 'layer_state') and self.layer_state is not None:
+            del self.layer_state
+            self.layer_state = None
+        if hasattr(self, 'layer'):
+            del self.layer
+
     def _build_callable_nodes(self, event, comp_stream, comm_stream, extra_args):
         """
         Builds the callable nodes for the transformer/mtp layer:
@@ -114,7 +141,12 @@ def _build_callable_nodes(self, event, comp_stream, comm_stream, extra_args):
             self.layer.config.moe_token_dispatcher_type == "flex"
             and self.layer.config.moe_flex_dispatcher_backend == "deepep"
         )
+        enable_hybridep = (
+            self.layer.config.moe_token_dispatcher_type == "flex"
+            and self.layer.config.moe_flex_dispatcher_backend == "hybridep"
+        )
         extra_args["enable_deepep"] = enable_deepep
+        extra_args["enable_hybridep"] = enable_hybridep
         extra_args["is_moe"] = is_moe
         extra_args["delay_wgrad_compute"] = self.layer.config.delay_wgrad_compute
         extra_args["is_mtp"] = is_mtp
@@ -221,6 +253,10 @@ def run(f_layer, b_layer, f_input=None, b_grad=None, is_last_layer_in_bwd=False)
             b_layer.mlp.backward_dw()
             b_grad = b_layer.moe_dispatch.backward(b_grad)
 
+        if b_layer is not None and b_layer.config.ep_overlap_early_attn_memory_release:
+            b_grad = b_layer.post_attn.backward(b_grad)
+            b_grad = b_layer.attn.backward(b_grad)
+
         if f_layer is not None:
             with f_layer.get_fp8_context():
                 f_input = f_layer.mlp.forward(f_input)
@@ -230,7 +266,7 @@ def run(f_layer, b_layer, f_input=None, b_grad=None, is_last_layer_in_bwd=False)
                 f_input = f_layer.moe_combine.forward(f_input)
                 f_input = f_layer.mtp_post_process.forward(f_input)
 
-        if b_layer is not None:
+        if b_layer is not None and not b_layer.config.ep_overlap_early_attn_memory_release:
             b_grad = b_layer.post_attn.backward(b_grad)
             b_grad = b_layer.attn.backward(b_grad)
 
@@ -372,6 +408,10 @@ def get_layer(self, i):
         assert i < self.num_layers()
         return self._transformer_layers[i]
 
+    def pop_layer(self):
+        """Pops the transformer layer in FILO order."""
+        return self._transformer_layers.pop()
+
     def num_layers(self):
         """Gets the number of transformer layers."""
         return len(self._transformer_layers)
@@ -450,29 +490,34 @@ def run(
         b_num_layers = b_schedule_plan.num_layers() if b_schedule_plan is not None else 0
         overlapped_layers = min(f_num_layers, b_num_layers)
 
+        f_layer = b_layer = None
         # combined forward and backward pass for overlapped layers
         for i in range(overlapped_layers):
             f_layer = f_schedule_plan.get_layer(i)
-            b_layer = b_schedule_plan.get_layer(b_num_layers - 1 - i)
-            torch.cuda.nvtx.range_push(f"layer_{i}f-layer_{b_num_layers - 1 - i}b")
             if f_layer.layer.config.fine_grained_activation_offloading:
                 fine_grained_offloading_set_last_layer(i == f_num_layers - 1)
+            b_layer = b_schedule_plan.pop_layer()
+            torch.cuda.nvtx.range_push(f"layer_{i}f-layer_{b_schedule_plan.num_layers()}b")
             f_input, b_grad = TransformerLayerSchedulePlan.run(
                 f_layer,
                 b_layer,
                 f_input=f_input,
                 b_grad=b_grad,
                 is_last_layer_in_bwd=(i == b_num_layers - 1),
             )
+            if i < b_num_layers - 1:
+                b_layer.release_state()
             torch.cuda.nvtx.range_pop()
 
         # backward pass for the remaining layers
         for i in range(overlapped_layers, b_num_layers):
-            b_layer = b_schedule_plan.get_layer(b_num_layers - 1 - i)
-            torch.cuda.nvtx.range_push(f"layer_{b_num_layers - 1 - i}b")
+            b_layer = b_schedule_plan.pop_layer()
+            torch.cuda.nvtx.range_push(f"layer_{b_schedule_plan.num_layers()}b")
             _, b_grad = TransformerLayerSchedulePlan.run(
                 None, b_layer, b_grad=b_grad, is_last_layer_in_bwd=(i == b_num_layers - 1)
             )
+            if i < b_num_layers - 1:
+                b_layer.release_state()
             torch.cuda.nvtx.range_pop()
 
         # forward pass for the remaining layers
@@ -500,7 +545,9 @@ def run(
         # Delay the last attn_dw in backward pass (attn_dw of the first layer)
         # for overlapping with the p2p comm
         if b_num_layers > 0:
-            b_schedule_plan.get_layer(0).attn.backward_dw()
+            assert b_layer is not None
+            b_layer.attn.backward_dw()
+            b_layer.release_state()
 
         # post process forward
         if f_schedule_plan is not None and f_schedule_plan.post_process is not None:
@@ -513,9 +560,7 @@ def run(
             f_schedule_plan.wait_current_stream()
         if b_schedule_plan:
             b_schedule_plan.wait_current_stream()
-
-        # Release reference as early as possible, this helps avoid memory leak.
-        if b_schedule_plan is not None:
+            # Release reference as early as possible, this helps avoid memory leak.
             b_schedule_plan.release_state()
 
         return f_input

megatron/core/models/gpt/fine_grained_callables.py

@@ -21,6 +21,7 @@
     get_mtp_layer_offset,
 )
 from megatron.core.transformer.transformer_layer import TransformerLayer, make_viewless_tensor
+from megatron.core.utils import internal_api
 
 
 def weak_method(method):
@@ -40,13 +41,15 @@ def wrapped_func(*args, **kwarg):
     return wrapped_func
 
 
-def should_free_input(name, is_moe, is_deepep):
+@internal_api
+def should_free_input(name, is_moe, enable_deepep, enable_hybridep):
     """Determine if the node should free its input memory.
 
     Args:
         name: Node name
         is_moe: Whether it's a MoE model
-        is_deepep: Whether it's a DeepEP model
+        enable_deepep: Whether to use DeepEP dispatcher
+        enable_hybridep: Whether to use HybridEP dispatcher
 
     Returns:
         bool: Whether to free input memory
@@ -60,12 +63,13 @@ def should_free_input(name, is_moe, is_deepep):
     # The input and output of A2A are not needed anymore after the forward pass,
     # so we can free the input memory after the forward pass.
     free_input_nodes = {
-        "mlp": True,
+        "mlp": not enable_hybridep,
         "moe_combine": True,
-        # For non-deepep mode, the input is the un-dispatched tokens and probs before dispatch A2A
-        # and it's not needed anymore after the forward pass
-        # For deepep mode, they are both needed in backward pass, so they cannot be freed.
-        "moe_dispatch": not is_deepep,
+        # For non-DeepEP and non-HybridEP dispatcher mode, the input is the un-dispatched tokens
+        # and probs before dispatch A2A and it's not needed anymore after the forward pass
+        # For DeepEP and HybridEP dispatcher mode, they are both needed in backward pass
+        # and cannot be freed.
+        "moe_dispatch": not (enable_deepep or enable_hybridep),
     }
 
     return free_input_nodes.get(name, False)
@@ -223,12 +227,13 @@ def __init__(
             it's the per_batch_state_context, o.w. nullcontext
             name (str): Node name, also used to determine memory strategy
             bwd_dw_callables (list): List of weight gradient functions for the layer.
-            extra_args (dict): Extra arguments for the node: is_moe, enable_deepep.
+            extra_args (dict): Extra arguments for nodes: is_moe, enable_deepep, enable_hybridep.
         """
         # determine whether to free input memory
         is_moe = extra_args.get("is_moe", False)
         enable_deepep = extra_args.get("enable_deepep", False)
-        free_input = should_free_input(name, is_moe, enable_deepep)
+        enable_hybridep = extra_args.get("enable_hybridep", False)
+        free_input = should_free_input(name, is_moe, enable_deepep, enable_hybridep)
         self.delay_wgrad_compute = extra_args.get("delay_wgrad_compute", False)
 
         super().__init__(
@@ -274,7 +279,13 @@ def backward_impl(self, outputs, output_grad):
         detached_grad = tuple([e.grad for e in self.detached])
         grads = output_grad + detached_grad
         self.default_backward_func(outputs + self.before_detached, grads)
-        self._release_state()
+        # release the output grad memory after backward finishes,
+        # except when delay_wgrad_comptue is enabled, the grad should be
+        # kept until all modules' backward_dw has been invoked.
+        if self.delay_wgrad_compute:
+            self.output_grads = grads
+            self.delay_grads_release = len(self.bwd_dw_callables) > 0
+
         # return grads for record stream
         return grads
 
@@ -285,9 +296,16 @@ def backward_dw(self):
         with torch.cuda.nvtx.range(f"{self.name} wgrad"):
             for module in self.bwd_dw_callables:
                 module.backward_dw()
+
+        # the output grad memory is last used in wgrad compute, should be safe to release.
+        assert self.delay_grads_release, "output grad memory should be valid before wgrad."
+        for tensor in self.output_grads:
+            tensor.untyped_storage().resize_(0)
+        self.output_grads = None
+
         self.bwd_dw_callables = None
 
-    def _release_state(self):
+    def __del__(self):
         # Release reference as early as possible, this helps avoid memory leak.
         self.before_detached = None
         self.detached = None
@@ -328,6 +346,10 @@ def build_transformer_layer_callables(layer: TransformerLayer):
         layer.config.moe_token_dispatcher_type == "flex"
         and layer.config.moe_flex_dispatcher_backend == "deepep"
     )
+    enable_hybridep = (
+        layer.config.moe_token_dispatcher_type == "flex"
+        and layer.config.moe_flex_dispatcher_backend == "hybridep"
+    )
 
     def submodule_attn_forward(node: ScheduleNode, hidden_states: torch.Tensor):
         """
@@ -379,7 +401,7 @@ def submodule_dispatch_forward(
         Dispatches tokens to the experts based on the router output.
         """
         token_dispatcher = layer.mlp.token_dispatcher
-        if enable_deepep:
+        if enable_deepep or enable_hybridep:
             # update token_probs to be the detached version, prevents
             # backward graph from connecting to attn submodule
             token_dispatcher._comm_manager.token_probs = probs
@@ -396,7 +418,7 @@ def submodule_moe_forward(node: ScheduleNode, dispatched_tokens: torch.Tensor):
         shared_expert_output = None
         dispatched_probs = node.layer_state.dispatched_probs
         token_dispatcher = layer.mlp.token_dispatcher
-        if enable_deepep:
+        if enable_deepep or enable_hybridep:
             # update dispatched_probs to be detached version, prevents
             # backward graph from connecting to dispatch submodule
             token_dispatcher._comm_manager.dispatched_probs = dispatched_probs

megatron/core/pipeline_parallel/utils.py

@@ -182,6 +182,7 @@ def __init__(
         self.free_input = free_input
         self.inputs = None
         self.outputs = None
+        self.delay_grads_release = False
 
     def default_backward_func(self, outputs, output_grad):
         """Default backward function"""
@@ -263,6 +264,12 @@ def _backward(self, *output_grad):
             for g in output_grad:
                 if g is not None:
                     g.record_stream(self.stream)
+                    # Manually trigger the memory release of dgrad tensor
+                    # to avoid delayed garbage collection. If
+                    # delay_grads_release is True, dgrad is last used in
+                    # wgrad compute and skip the release here.
+                    if not self.delay_grads_release:
+                        g.untyped_storage().resize_(0)
 
         grads = self.get_grad()
         self._release_state()

megatron/core/transformer/transformer_config.py

@@ -1843,6 +1843,11 @@ def __post_init__(self):
             assert (
                 self.mtp_num_layers is None or self.mtp_num_layers == 1
             ), 'MTP layernum only supports 1 when enabling overlap_moe_expert_parallel_comm.'
+            if self.mtp_num_layers == 1:
+                assert self.pipeline_model_parallel_size > 1, (
+                    'Pipeline model parallel size must be larger than 1 '
+                    'when enabling overlap_moe_expert_parallel_comm with MTP layer.'
+                )
 
         # Check delay_wgrad_compute compatibility
         if self.delay_wgrad_compute:
@@ -1853,6 +1858,12 @@ def __post_init__(self):
                 not self.moe_use_legacy_grouped_gemm
             ), 'delay_wgrad_compute is not supported with legacy groupedgemm implementation'
 
+        if self.ep_overlap_early_attn_memory_release:
+            assert self.overlap_moe_expert_parallel_comm, (
+                'overlap_moe_expert_parallel_comm must be enabled when enabling '
+                'ep_overlap_early_attn_memory_release'
+            )
+
         if self.context_parallel_size > 1 and self.cp_comm_type is not None:
             if isinstance(self.cp_comm_type, list):
                 assert len(self.cp_comm_type) == self.num_layers, (

megatron/training/arguments.py

@@ -3348,6 +3348,8 @@ def _add_moe_args(parser):
                        help='Overlap the EP A2A communication by batch-level overlapping in 1f1b stage.')
     group.add_argument('--delay-wgrad-compute', action='store_true',
                        help='Delay the wgrad compute for batch-level overlapping')
+    group.add_argument('--ep-overlap-early-attn-memory-release', action='store_true',
+                       help='Release the memory of the attention module early in EP overlap.')
 
     group.add_argument('--moe-upcycling-granularity', type=int, default=1,
                        help='This param sepecifics how many times smaller is the expert hidden size compared with the original dense FFN hidden size. '