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[Paddle Backend] Add mixed precision training for se_e2_a_mixed_prec #3030

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@HydrogenSulfate HydrogenSulfate commented Dec 4, 2023

Add mixed precision training mode for se_e2_a_mixed_prec. Time&mem cost below

x Time Mem
fp32 ~3.0s/100 batch ~1.9G
(manually) mixed precision(fp16+fp32) 3.5s ~3.5s/100 batch ~1.5G
  • (GPU)Training metric with water(se_e2_a_mixed_prec)(

    image

    reference(fp64): image

zhwesky2010 and others added 30 commits April 10, 2021 09:51
Support virial forward run on gpu with cpu kernel
Deepmd in Paddle for example, just 'water_se_a' model
jim19930609 and others added 25 commits July 20, 2021 03:32
Following issues fixed:
1. Removed @paddle.jit.to_static decorator. Model will be converted to
static graph at save time.

2. Manually set InputSpec for "Ener" model with "se_a" descriptor

3. Due to lack of support for "double" datatype at inference time,
default training precision was set to float (low precision)
[Paddle] Fixed model save issues with Ener model
Detected functional regression between CUDA 10.1 and CUDA 11.2

Therefore force 3 custom ops namely, "env_mat", "force_se_a" and "virial_se_a" to fallback on CPU

Minor changes to save_model function in "trainer.py" to suppress dynamic-to-static warnings
Force env_mat force_se_a virial_se_a to fallback on CPU
Revert "Force env_mat force_se_a virial_se_a to fallback on CPU"
@njzjz njzjz changed the base branch from paddle to paddle2 December 21, 2023 03:14
njzjz pushed a commit that referenced this pull request Dec 30, 2023
…revert code format) (#3096)

Code formatting for #3030 

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Signed-off-by: HydrogenSulfate <[email protected]>
Co-authored-by: zhouwei25 <[email protected]>
Co-authored-by: JiabinYang <[email protected]>
Co-authored-by: Han Wang <[email protected]>
Co-authored-by: Zhanlue Yang <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@njzjz njzjz closed this Dec 30, 2023
@HydrogenSulfate HydrogenSulfate deleted the add_amp branch September 3, 2024 14:35
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6 participants