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pd: revert einsum to matmul for paddle backend (#4768)
revert einsum to matmul for paddle backend as einsum may not trigger infermeta error. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Refactor** - Improved the internal computation method for certain tensor operations to enhance performance and maintainability. No changes to user-facing features or outputs. <!-- end of auto-generated comment: release notes by coderabbit.ai --> Signed-off-by: HydrogenSulfate <490868991@qq.com>
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deepmd/pd/model/model/transform_output.py

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -82,9 +82,7 @@ def task_deriv_one(
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assert extended_force is not None
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extended_force = -extended_force
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if do_virial:
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extended_virial = paddle.einsum(
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"...ik,...ij->...ikj", extended_force, extended_coord
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)
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extended_virial = extended_force.unsqueeze(-1) @ extended_coord.unsqueeze(-2)
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# the correction sums to zero, which does not contribute to global virial
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if do_atomic_virial:
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extended_virial_corr = atomic_virial_corr(extended_coord, atom_energy)

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