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GQAQKVColumnParallelLinearSpec._adapt_state_dict raises KeyError on any multi-file checkpoint when tp_size > num_key_value_heads #1111

Description

@violivei

What happens

Full fine-tuning Qwen/Qwen3-32B on Trainium dies inside
NeuronModelForCausalLM.from_pretrained with

KeyError: 'model.layers.3.self_attn.q_proj.weight'

The layer number is whichever layer first falls outside the first shard file, so it
depends on the checkpoint, and it can be k_proj or v_proj instead of q_proj
depending on which branch runs. I hit this on hardware at tensor_parallel_size=16. At
tensor_parallel_size=8 the same run loads fine, because Qwen3-32B has 8 key-value heads
and the GQA path is not taken at or below that. The attached script also reproduces it at
tensor_parallel_size=32, though I have not run that size on a device.

Any model with a checkpoint split over more than one safetensors file should hit this
once TP exceeds the key-value head count. Qwen3-32B ships as 17 files, so it never gets
past the first one.

Reproduction

reproduce.py (attached) needs neither Trainium nor a 65 GB download, only torch. It
loads the real transformations_utils.py with the three Neuron-only imports stubbed,
then replays the loader's shard-by-shard behaviour over the actual published Qwen3-32B
shard layout. The model is scaled down in head_dim only; the layer count, head counts,
TP size and kv_size_multiplier are the real ones.

$ python reproduce.py
[1] unpatched sharded load raises KeyError('model.layers.3.self_attn.q_proj.weight')  <-- bug reproduced

The traceback is short because the script calls the spec directly rather than going
through from_pretrained:

Traceback (most recent call last):
  File "reproduce.py", line 238, in run_sharded
    shard_state_dict = spec._adapt_state_dict(
                       ^^^^^^^^^^^^^^^^^^^^^^^
  File ".../optimum/neuron/models/training/transformations_utils.py", line 1035, in _adapt_state_dict
KeyError: 'model.layers.3.self_attn.q_proj.weight'

Cause

My first guess was that a layer's q/k/v had landed in different shard files. That is not
it. I checked all 64 layers of the published model.safetensors.index.json and q_proj,
k_proj, v_proj and o_proj of a given layer are always in the same file.

What actually happens is that the spec runs for every layer on every shard file.
_load_pretrained_model
reads the checkpoint one file at a time and calls adapt_state_dict on each,
and adapt_state_dict
walks model.named_modules() in full, not just the modules that have weights in the
shard it was handed. So while shard file 1 is being processed, layer 3's spec runs too,
and line 1038
pops a key that is still sitting in shard file 2. The same applies to
1013,
1020,
1025,
1048
and 1054,
and to the o_proj lookup at
1059,
which would raise the same way.

FusedLinearsSpec._adapt_state_dict already deals with this, at
482-491.
The GQA spec takes the same upstanding_sharded_params argument at
995
and never touches it.

The condition that scopes all of this is
llama/modeling_llama.py#L316,
self.qkv_linear = (self.num_key_value_heads < tp_size) or (self.num_key_value_heads % tp_size != 0),
which is what decides whether the spec gets built. Qwen3 inherits that attention
implementation, so it is affected too.

kv_size_multiplier is not involved. It is derived at
config.py#L62
and gives the right answer (4) for this model at TP=32. Setting it by hand changes
nothing.

Environment

I hit this on optimum-neuron 0.4.3, __sdk_version__ 2.26.1, Trainium (trn1), bf16,
full fine-tune, TP 16. Before filing I diffed against main at
4a80f2f3de15e83e978a6f3c0d43224626d921ca (__version__ = "0.4.6.dev4"):
transformations_utils.py is byte-identical between the two, 1686 lines each, so nothing
here has been fixed since 0.4.3. reproduce.py was run on CPU with torch 2.8.0 and
Python 3.12.

Suggested fix

PATCH.diff is attached and applies cleanly to that commit. It gives the GQA spec the
shard tolerance FusedLinearsSpec already has: skip the module when none of its four
weights are around yet, otherwise park the partial group in upstanding_sharded_params
and only transform once all four are in hand. 21 lines added, 1 moved, no reformatting
and no renames. The transformation math is untouched, and reproduce.py asserts with
torch.equal that the patched shard-by-shard result matches a single-shot load of the
complete state dict for all 32 TP ranks.

One detail worth flagging for review. The early continue when nothing at all is present
is there so the common case never writes to upstanding_sharded_params. FusedLinearsSpec
currently assumes that dict holds at most one group at a time, per its length check at
488
and the ValueError at
496,
and parking unconditionally would break that assumption. With the early exit the patch
only parks when a module's weights genuinely straddle a shard boundary, which today is a
crash anyway. Relaxing the single-group assumption properly looked like a separate change
so I left it alone.

I also restore the weights into state_dict and let the original code run, rather than
skipping the module, because a missing weight here is quiet: _load_pretrained_model only
warns about missing keys at
694,
so a group that never completed would train uninitialised attention weights instead of
failing.

_lora_adapt_state_dict at
1071
has the same unguarded pops on the LoRA A/B weights and looks like it would fail the same
way on a multi-file adapter checkpoint. I did not test that path and the patch does not
touch it, so treat that as a suspicion rather than part of this report.

reproduce.py
#!/usr/bin/env python3
"""Standalone reproduction for:

    GQAQKVColumnParallelLinearSpec._adapt_state_dict raises KeyError on any multi-file
    checkpoint when tp_size > num_key_value_heads

Runs on plain CPU. No Trainium hardware, no neuronx-distributed install, and no 65 GB
checkpoint download are required. It only needs `torch`.

How it works
------------
`optimum/neuron/models/training/transformations_utils.py` is loaded directly from source
with its three Neuron-specific imports stubbed out, so the transformation code under test
is the real upstream code, byte for byte. The loader's behaviour is then replayed:
`NeuronModelMixin._load_pretrained_model` reads a sharded safetensors checkpoint one shard
file at a time and calls `adapt_state_dict` on each shard, and `adapt_state_dict` iterates
over every module of the model on every one of those calls.

The shard layout is the real one published for Qwen3-32B (17 files, taken from its
`model.safetensors.index.json`), embedded below so the script needs no network. The model
is dimensionally scaled down (real 64 layers / 64 query heads / 8 key-value heads / tp=32 /
kv_size_multiplier=4, but head_dim 8 instead of 128) so the whole thing fits in a few
hundred MB of RAM.

Three checks are run:

  1. Against the unpatched source: the shard-by-shard load raises
     KeyError('model.layers.3.self_attn.q_proj.weight').
  2. Against the patched source: the shard-by-shard load produces a result that is
     bit-identical (torch.equal) to a single-shot load of the complete state dict, for
     every one of the 32 tensor-parallel ranks.
  3. Against the patched source: `upstanding_sharded_params` is empty afterwards, i.e.
     nothing was parked and silently forgotten, and an artificial layout in which q_proj
     lands in a different shard file from k/v/o_proj is also handled.

If PATCH.diff sits next to this script and `git` is available, the patched source is
produced by actually applying that diff to a temporary copy, so a green run also proves
the diff applies. Otherwise checks 2 and 3 are skipped with a clear message.

See the bottom of this file for the exact command and the expected output.
"""

from __future__ import annotations

import argparse
import json
import os
import shutil
import subprocess
import sys
import tempfile
import types
import urllib.request

import torch


REL_PATH = "optimum/neuron/models/training/transformations_utils.py"

# ---------------------------------------------------------------------------------------
# Real Qwen3-32B shard layout: 1-based index of the safetensors file holding layer i's
# self_attn weights, from https://huggingface.co/Qwen/Qwen3-32B model.safetensors.index.json
# (17 files total). q_proj, k_proj, v_proj and o_proj of a given layer happen to always
# land in the same file for this checkpoint, which is worth knowing: the bug is NOT about
# a single module's weights straddling a shard boundary. Pass --refresh-index to re-derive
# this list from the Hub instead of trusting the embedded copy.
SHARD_OF_LAYER = [
    1, 1, 1, 2, 2, 2, 2, 3, 3, 3, 3, 4, 4, 4, 4, 5, 5, 5, 5, 6, 6, 6, 6,
    7, 7, 7, 7, 8, 8, 8, 8, 9, 9, 9, 9, 10, 10, 10, 10, 11, 11, 11, 11,
    12, 12, 12, 12, 13, 13, 13, 13, 14, 14, 14, 14, 15, 15, 15, 15, 16,
    16, 16, 16, 17,
]

# Qwen3-32B, with head_dim shrunk from 128 to 8 to keep the test small. Everything that the
# GQA sharding math depends on is the real value.
NUM_LAYERS = 64
NUM_HEADS = 64
NUM_KV_HEADS = 8
HEAD_DIM = 8
HIDDEN = NUM_HEADS * HEAD_DIM
TP_SIZE = 32
KV_MULT = max(1, TP_SIZE // NUM_KV_HEADS)                      # 4
Q_OUT_PER_PARTITION = NUM_HEADS * HEAD_DIM // TP_SIZE          # 16
KV_OUT_PER_PARTITION = NUM_KV_HEADS * KV_MULT * HEAD_DIM // TP_SIZE  # 8

PROJECTIONS = ("q_proj", "k_proj", "v_proj", "o_proj")

_CURRENT_RANK = [0]


# ---------------------------------------------------------------------------------------
# Stubs standing in for the Neuron-only imports at the top of transformations_utils.py.
# Nothing else in the file is touched.

def get_tensor_model_parallel_rank():
    return _CURRENT_RANK[0]


def get_tensor_model_parallel_size():
    return TP_SIZE


def is_peft_available():
    return False


class _NullLogger:
    def __getattr__(self, _name):
        return lambda *a, **k: None


class _LoggingStub:
    def get_logger(self, *a, **k):
        return _NullLogger()


_logging = _LoggingStub()


def load_transformations_utils(path, module_name):
    """Exec the real upstream file with its Neuron imports replaced by the stubs above."""
    with open(path) as fh:
        source = fh.read()

    substitutions = [
        (
            "from neuronx_distributed.parallel_layers.layers import create_local_weight",
            "create_local_weight = None",
        ),
        (
            "from neuronx_distributed.parallel_layers.parallel_state import (\n"
            "    get_tensor_model_parallel_rank,\n"
            "    get_tensor_model_parallel_size,\n"
            ")",
            "from __main__ import get_tensor_model_parallel_rank, get_tensor_model_parallel_size",
        ),
        ("from optimum.utils import logging", "from __main__ import _logging as logging"),
        (
            "from ...utils.import_utils import is_peft_available",
            "from __main__ import is_peft_available",
        ),
    ]
    for old, new in substitutions:
        if old not in source:
            raise SystemExit(
                f"could not find the expected import block in {path}:\n  {old!r}\n"
                "The file layout has changed; this reproduction needs updating."
            )
        source = source.replace(old, new)

    for line in source.splitlines():
        if line.startswith(("from neuronx_distributed", "import neuronx_distributed",
                            "from optimum.utils", "from ...utils")):
            raise SystemExit(f"import not stubbed: {line}")

    module = types.ModuleType(module_name)
    module.__dict__["__name__"] = module_name
    # Register before exec: the dataclass machinery resolves annotations through
    # sys.modules[cls.__module__] while the classes in this file are being created.
    sys.modules[module_name] = module
    exec(compile(source, path, "exec"), module.__dict__)
    return module


# ---------------------------------------------------------------------------------------

def make_spec(tu):
    return tu.GQAQKVColumnParallelLinearSpec(
        gqa_qkv_projection_name="qkv_proj",
        query_projection_name="q_proj",
        key_projection_name="k_proj",
        value_projection_name="v_proj",
        output_projection_name="o_proj",
        num_attention_heads=NUM_HEADS,
        num_key_value_heads=NUM_KV_HEADS,
        kv_size_multiplier=KV_MULT,
        q_output_size_per_partition=Q_OUT_PER_PARTITION,
        kv_output_size_per_partition=KV_OUT_PER_PARTITION,
        fuse_qkv=False,
        bias=False,
        tp_size=TP_SIZE,
    )


def build_full_state_dict():
    gen = torch.Generator().manual_seed(0)
    state_dict = {}
    for layer in range(NUM_LAYERS):
        prefix = f"model.layers.{layer}.self_attn"
        state_dict[f"{prefix}.q_proj.weight"] = torch.randn(NUM_HEADS * HEAD_DIM, HIDDEN, generator=gen)
        state_dict[f"{prefix}.k_proj.weight"] = torch.randn(NUM_KV_HEADS * HEAD_DIM, HIDDEN, generator=gen)
        state_dict[f"{prefix}.v_proj.weight"] = torch.randn(NUM_KV_HEADS * HEAD_DIM, HIDDEN, generator=gen)
        state_dict[f"{prefix}.o_proj.weight"] = torch.randn(HIDDEN, NUM_HEADS * HEAD_DIM, generator=gen)
    return state_dict


def real_shard_layout():
    """[(shard_name, [keys]), ...] in file order, from the real Qwen3-32B index."""
    per_file = {}
    for layer, shard in enumerate(SHARD_OF_LAYER):
        for projection in PROJECTIONS:
            key = f"model.layers.{layer}.self_attn.{projection}.weight"
            per_file.setdefault(shard, []).append(key)
    return [(f"model-{s:05d}-of-00017.safetensors", per_file[s]) for s in sorted(per_file)]


def split_qkv_layout(layout):
    """Adversarial variant: q_proj arrives in a later shard than k/v/o_proj."""
    out = []
    for name, keys in layout:
        rest = [k for k in keys if ".q_proj." not in k]
        queries = [k for k in keys if ".q_proj." in k]
        out.append((name + ".part-kvo", rest))
        out.append((name + ".part-q", queries))
    return out


def run_single_shot(tu, full_state_dict):
    """One call with the complete state dict: the reference result."""
    spec = make_spec(tu)
    state_dict = dict(full_state_dict)
    upstanding = {}
    for layer in range(NUM_LAYERS):
        state_dict = spec._adapt_state_dict(
            f"model.layers.{layer}.self_attn", {}, state_dict, upstanding, inplace=True
        )
    return state_dict, upstanding


def run_sharded(tu, full_state_dict, layout):
    """One call per shard file, over every module, exactly as the real loader does."""
    spec = make_spec(tu)
    upstanding = {}
    result = {}
    for _shard_name, keys in layout:
        shard_state_dict = {k: full_state_dict[k] for k in keys}
        for layer in range(NUM_LAYERS):
            shard_state_dict = spec._adapt_state_dict(
                f"model.layers.{layer}.self_attn", {}, shard_state_dict, upstanding, inplace=True
            )
        result.update(shard_state_dict)
    return result, upstanding


def tensors_equal(reference, candidate):
    if set(reference) != set(candidate):
        only_ref = sorted(set(reference) - set(candidate))[:3]
        only_cand = sorted(set(candidate) - set(reference))[:3]
        return False, f"key mismatch, missing={only_ref} extra={only_cand}"
    for key in reference:
        if not torch.equal(reference[key], candidate[key]):
            return False, f"tensor mismatch at {key}"
    return True, ""


# ---------------------------------------------------------------------------------------

def locate_source(explicit):
    if explicit:
        return explicit
    here = os.path.dirname(os.path.abspath(__file__))
    # Walk up looking for a checkout of the repository.
    probe = here
    for _ in range(6):
        candidate = os.path.join(probe, REL_PATH)
        if os.path.isfile(candidate):
            return candidate
        probe = os.path.dirname(probe)
    try:
        import optimum.neuron  # noqa: F401
        candidate = os.path.join(
            os.path.dirname(optimum.neuron.__file__),
            "models/training/transformations_utils.py",
        )
        if os.path.isfile(candidate):
            return candidate
    except Exception:
        pass
    raise SystemExit(
        f"could not find {REL_PATH}. Run this from a checkout of the repository, or pass "
        "--source /path/to/transformations_utils.py"
    )


def build_patched_copy(source_path, patch_path):
    """Apply PATCH.diff to a throwaway copy and return its path, or None."""
    if not os.path.isfile(patch_path):
        return None, f"no patch file at {patch_path}"
    if shutil.which("git") is None:
        return None, "git not available, cannot apply the patch"
    tmpdir = tempfile.mkdtemp(prefix="gqa-repro-")
    target = os.path.join(tmpdir, REL_PATH)
    os.makedirs(os.path.dirname(target), exist_ok=True)
    shutil.copyfile(source_path, target)
    proc = subprocess.run(
        ["git", "apply", "--verbose", patch_path],
        cwd=tmpdir, capture_output=True, text=True,
    )
    if proc.returncode != 0:
        return None, f"git apply failed: {proc.stderr.strip()[:400]}"
    return target, ""


def refresh_index():
    url = "https://huggingface.co/Qwen/Qwen3-32B/resolve/main/model.safetensors.index.json"
    with urllib.request.urlopen(url, timeout=60) as response:
        weight_map = json.load(response)["weight_map"]
    derived = []
    for layer in range(NUM_LAYERS):
        files = {
            weight_map[f"model.layers.{layer}.self_attn.{p}.weight"] for p in PROJECTIONS
        }
        if len(files) != 1:
            raise SystemExit(f"layer {layer} straddles shard files {sorted(files)}")
        derived.append(int(sorted(files)[0].split("-")[1]))
    if derived != SHARD_OF_LAYER:
        print("NOTE: embedded SHARD_OF_LAYER differs from the Hub, using the Hub copy")
        SHARD_OF_LAYER[:] = derived
    else:
        print("index check: embedded shard layout matches the Hub")


def main():
    parser = argparse.ArgumentParser(description=__doc__)
    parser.add_argument("--source", help="path to transformations_utils.py")
    parser.add_argument("--patch", help="path to PATCH.diff")
    parser.add_argument("--refresh-index", action="store_true",
                        help="re-derive the shard layout from the Hub (needs network)")
    args = parser.parse_args()

    if args.refresh_index:
        refresh_index()

    source_path = locate_source(args.source)
    patch_path = args.patch or os.path.join(os.path.dirname(os.path.abspath(__file__)), "PATCH.diff")

    print(f"source under test : {source_path}")
    print(f"torch             : {torch.__version__}")
    print(f"model             : {NUM_LAYERS} layers, {NUM_HEADS} q heads, "
          f"{NUM_KV_HEADS} kv heads, tp={TP_SIZE}, kv_size_multiplier={KV_MULT}")
    layout = real_shard_layout()
    print(f"shard layout      : real Qwen3-32B, {len(layout)} safetensors files")
    print()

    full_state_dict = build_full_state_dict()
    failures = []

    # ---- check 0: the query permutation covers every head exactly once ----------------
    tu_plain = load_transformations_utils(source_path, "tu_plain")
    spec_cls = tu_plain.GQAQKVColumnParallelLinearSpec
    indices = torch.cat([
        spec_cls.compute_query_indices_for_rank(TP_SIZE, r, NUM_HEADS, NUM_KV_HEADS, KV_MULT)
        for r in range(TP_SIZE)
    ])
    is_permutation = sorted(indices.tolist()) == list(range(NUM_HEADS))
    print(f"[0] compute_query_indices_for_rank covers all {NUM_HEADS} heads exactly once "
          f"across {TP_SIZE} ranks: {is_permutation}")
    if not is_permutation:
        failures.append("query index permutation")

    # ---- check 1: reproduce the bug ---------------------------------------------------
    _CURRENT_RANK[0] = 0
    try:
        run_sharded(tu_plain, full_state_dict, layout)
        print("[1] unpatched sharded load: completed without error  <-- BUG NOT REPRODUCED")
        bug_reproduced = False
    except KeyError as exc:
        print(f"[1] unpatched sharded load raises KeyError({exc})  <-- bug reproduced")
        bug_reproduced = True
    if not bug_reproduced:
        failures.append("bug did not reproduce on the unpatched source")

    # ---- checks 2 and 3 need the patched source ---------------------------------------
    patched_path, reason = build_patched_copy(source_path, patch_path)
    if patched_path is None:
        print()
        print(f"[2] SKIPPED: {reason}")
        print("[3] SKIPPED: same reason")
        print()
        print("RESULT: BUG REPRODUCED, fix not exercised "
              "(place PATCH.diff next to this script to exercise it)")
        return 0 if bug_reproduced else 1

    print(f"    patch applied cleanly to a temporary copy: {patch_path}")
    tu_fixed = load_transformations_utils(patched_path, "tu_fixed")

    all_ranks_ok = True
    detail = ""
    for rank in range(TP_SIZE):
        _CURRENT_RANK[0] = rank
        reference, _ = run_single_shot(tu_fixed, full_state_dict)
        candidate, upstanding = run_sharded(tu_fixed, full_state_dict, layout)
        ok, why = tensors_equal(reference, candidate)
        if not ok:
            all_ranks_ok, detail = False, f"rank {rank}: {why}"
            break
        if upstanding:
            all_ranks_ok, detail = False, f"rank {rank}: {len(upstanding)} weights left parked"
            break
    print(f"[2] patched sharded load == single-shot load, bit-identical, "
          f"for all {TP_SIZE} ranks: {all_ranks_ok}{(' (' + detail + ')') if detail else ''}")
    if not all_ranks_ok:
        failures.append("patched result differs from the single-shot reference")

    _CURRENT_RANK[0] = 7
    reference, _ = run_single_shot(tu_fixed, full_state_dict)
    candidate, upstanding = run_sharded(tu_fixed, full_state_dict, split_qkv_layout(layout))
    split_ok, why = tensors_equal(reference, candidate)
    stash_empty = not upstanding
    print(f"[3] patched load with q_proj deliberately placed in a different shard file "
          f"from k/v/o_proj: identical={split_ok}{(' (' + why + ')') if why else ''}, "
          f"nothing left parked={stash_empty}")
    if not (split_ok and stash_empty):
        failures.append("straddling-shard case mishandled")

    if all_ranks_ok:
        name = "model.layers.0.self_attn"
        print()
        print("    shapes on rank 0 for reference:")
        _CURRENT_RANK[0] = 0
        reference, _ = run_single_shot(tu_fixed, full_state_dict)
        for suffix, expected in (
            (f"{name}.qkv_proj.weight_q", (Q_OUT_PER_PARTITION, HIDDEN)),
            (f"{name}.qkv_proj.weight_k", (KV_OUT_PER_PARTITION, HIDDEN)),
            (f"{name}.qkv_proj.weight_v", (KV_OUT_PER_PARTITION, HIDDEN)),
            (f"{name}.o_proj.weight", (HIDDEN, Q_OUT_PER_PARTITION)),
        ):
            got = tuple(reference[suffix].shape)
            print(f"      {suffix:52s} {str(got):14s} expected {expected}")

    print()
    if failures:
        print("RESULT: FAIL")
        for item in failures:
            print(f"  - {item}")
        return 1
    print("RESULT: PASS (bug reproduced on the unpatched source, fixed by PATCH.diff)")
    return 0


if __name__ == "__main__":
    sys.exit(main())


# ---------------------------------------------------------------------------------------
# HOW TO RUN
#
#   git clone https://github.com/huggingface/optimum-neuron.git
#   cd optimum-neuron
#   git checkout 4a80f2f3de15e83e978a6f3c0d43224626d921ca
#   cp /path/to/reproduce.py /path/to/PATCH.diff .
#   python reproduce.py
#
# Only torch is needed. Runs in well under a minute on CPU.
#
# EXPECTED OUTPUT
#
#   source under test : .../optimum/neuron/models/training/transformations_utils.py
#   torch             : 2.8.0
#   model             : 64 layers, 64 q heads, 8 kv heads, tp=32, kv_size_multiplier=4
#   shard layout      : real Qwen3-32B, 17 safetensors files
#
#   [0] compute_query_indices_for_rank covers all 64 heads exactly once across 32 ranks: True
#   [1] unpatched sharded load raises KeyError('model.layers.3.self_attn.q_proj.weight')  <-- bug reproduced
#       patch applied cleanly to a temporary copy: ./PATCH.diff
#   [2] patched sharded load == single-shot load, bit-identical, for all 32 ranks: True
#   [3] patched load with q_proj deliberately placed in a different shard file from k/v/o_proj: identical=True, nothing left parked=True
#
#       shapes on rank 0 for reference:
#         model.layers.0.self_attn.qkv_proj.weight_q           (16, 512)      expected (16, 512)
#         model.layers.0.self_attn.qkv_proj.weight_k           (8, 512)       expected (8, 512)
#         model.layers.0.self_attn.qkv_proj.weight_v           (8, 512)       expected (8, 512)
#         model.layers.0.self_attn.o_proj.weight               (512, 16)      expected (512, 16)
#
#   RESULT: PASS (bug reproduced on the unpatched source, fixed by PATCH.diff)
#
# Without PATCH.diff present, checks 2 and 3 are skipped and the script reports
# "RESULT: BUG REPRODUCED, fix not exercised".

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