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6 changes: 4 additions & 2 deletions deepmd/pd/model/network/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -39,8 +39,10 @@ def aggregate(
else:
bin_count = None

# make sure this operation is done on the same device of data and owners
output = paddle.zeros([num_owner, data.shape[1]])
# preserve the input dtype instead of falling back to the default float;
# paddle.zeros creates the tensor on the current global device (it has no
# place argument), which matches data/owners under deepmd's global device.
output = paddle.zeros([num_owner, data.shape[1]], dtype=data.dtype)
output = output.index_add_(owners, 0, data.astype(output.dtype))
if average:
assert bin_count is not None
Expand Down
27 changes: 27 additions & 0 deletions source/tests/pd/model/test_aggregate.py
Original file line number Diff line number Diff line change
@@ -0,0 +1,27 @@
# SPDX-License-Identifier: LGPL-3.0-or-later
"""Test that ``aggregate`` preserves the input dtype (float64 must not downcast)."""

import unittest

import numpy as np
import paddle

from deepmd.pd.model.network.utils import (
aggregate,
)


class TestAggregateDtype(unittest.TestCase):
def _data(self) -> tuple[paddle.Tensor, paddle.Tensor]:
# rows 0,1 -> owner 0 ; row 2 -> owner 1
data = paddle.to_tensor([[1.0], [2.0], [3.0]], dtype="float64")
owners = paddle.to_tensor([0, 0, 1], dtype="int64")
return data, owners

def test_sum_preserves_float64(self) -> None:
# exercises the shared ``output = paddle.zeros(..., dtype=data.dtype)``
# allocation via the summation path
data, owners = self._data()
out = aggregate(data, owners, average=False, num_owner=2)
self.assertEqual(out.dtype, paddle.float64)
np.testing.assert_allclose(out.numpy().ravel(), [3.0, 3.0])
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