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[Paddle Backend] Add spin energy example #3028

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wants to merge 55 commits into from
Closed

[Paddle Backend] Add spin energy example #3028

wants to merge 55 commits into from

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HydrogenSulfate
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  1. Testing alignment(same)
    image
  2. Training alignment
    image

zhwesky2010 and others added 30 commits April 10, 2021 09:51
@zhwesky2010
Add the Paddle version of Ener model(Ener fit/Descrpt se_a),lr,loss
df60692
@zhwesky2010
fix Ener model double grad
a4adb02
@JiabinYang
add paddle version of prod_env_mat_a
f060845
@JiabinYang
remove addtional log
1648829
@zhwesky2010
Merge branch 'deemd2paddle' of https://github.com/JiabinYang/deepmd-kit…
b9eadb4 
… into api
@JiabinYang
add prod_force and prod_virtial op in paddle
8e52aa7
@JiabinYang
remove old file
98a0539
@JiabinYang
remove additional change
4f2496b
@JiabinYang
remove additional change
a9bd2c7
@JiabinYang
add ut and ut used kernel for prod and virial
ffd165c
@JiabinYang
rename test
c7723e5
@zhwesky2010
Merge branch 'deemd2paddle' of https://github.com/JiabinYang/deepmd-kit…
7cb1c94 
… into api
@JiabinYang
rename test
5bd354c
@JiabinYang
Merge branch 'api' of https://github.com/deepmodeling/deepmd-kit into…
d596c18 
… deemd2paddle
@zhwesky2010
Merge branch 'deemd2paddle' of https://github.com/JiabinYang/deepmd-kit…
604ee62 
… into api
@JiabinYang
support GPU backward of force and virial
c24e33e
@amcadmus
Merge pull request deepmodeling#499 from JiabinYang/deemd2paddle
9426f1c 
Deepmd2paddle
@zhwesky2010
Add Ener Model for Paddle
5e4795b
@zhwesky2010
Merge branch 'deemd2paddle' of https://github.com/JiabinYang/deepmd-kit…
0031e55 
… into api
@JiabinYang
temp support gpu with cpu kernel on virial
dcb1631
@JiabinYang
renew api usage to fit latest paddle
dde23ee
@amcadmus
Merge pull request deepmodeling#512 from JiabinYang/deemd2paddle
e988870 
Support virial forward run on gpu with cpu kernel
@zhwesky2010
Add Ener Model for Paddle
13b8e6f
@zhwesky2010
fix Ener Model Infer
f813c77
@amcadmus
Merge pull request deepmodeling#529 from zhouwei25/deepmd2paddle
ddcb9d7 
Deepmd in Paddle for example, just 'water_se_a' model
@JiabinYang
fix error in cpu mode
7f3802f
@amcadmus
Merge pull request deepmodeling#556 from JiabinYang/fix_prod_mat_env_…
f1bccb1 
…a_cpu

fix error in cpu mode
@JiabinYang
support jist save load
87effc5
@amcadmus
Merge pull request deepmodeling#597 from JiabinYang/support_jit_save_…
4b24e1f 
…load

support jist save load
@JiabinYang
fix change device error code
9a92b7f
amcadmus and others added 25 commits June 22, 2021 08:32
@amcadmus
Merge pull request deepmodeling#779 from JiabinYang/change_device
55670b2 
fix change device error code
@jim19930609
[Paddle] Fixed model save issues with Ener model
75f96f4 
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)
@amcadmus
Merge pull request deepmodeling#870 from jim19930609/paddle
a87e7b3 
[Paddle] Fixed model save issues with Ener model
@jim19930609
Force env_mat force_se_a virial_se_a to fallback on CPU
156c0d3 
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
@amcadmus
Merge pull request deepmodeling#880 from jim19930609/paddle
d55286d 
Force env_mat force_se_a virial_se_a to fallback on CPU
@jim19930609
Revert "Force env_mat force_se_a virial_se_a to fallback on CPU"
45a2962 
This reverts commit 156c0d3.
@amcadmus
Merge pull request deepmodeling#1230 from jim19930609/paddle
e5aeb25 
Revert "Force env_mat force_se_a virial_se_a to fallback on CPU"
@HydrogenSulfate
update reprod water_se2_a code
fc78e6d
@HydrogenSulfate
update ugly but runnable code
0af71a0
@HydrogenSulfate
refine code
4689924
@HydrogenSulfate
fix for missing code
0fd9f23
@HydrogenSulfate
add unitest code and fix for custom op installation in python
0000512
@HydrogenSulfate
update README for unitest of python custom op
03c1318
@HydrogenSulfate
refine docs
46dbc9c
@HydrogenSulfate
polish code
a38d4f0
@HydrogenSulfate
update CPU train and content in RAEDME
dc5f2a1
@HydrogenSulfate
merge old paddle branch
9fc9a67
@HydrogenSulfate
remove old code cuz merge
6c290a2
@pre-commit-ci
[pre-commit.ci] auto fixes from pre-commit.com hooks
1b60bfd 
for more information, see https://pre-commit.ci
@HydrogenSulfate
remove C++ inference dependency of tensorflow and add more buffer
4eeb08a
@HydrogenSulfate
Merge branch 'add_ddle_backend_polish_ver' of https://github.com/Hydr…
095d493 
…ogenSulfate/deepmd-kit into add_ddle_backend_polish_ver
@HydrogenSulfate
update dev code
b3c4a6f
@HydrogenSulfate
add spin_energy python train/test code
691d85e
@HydrogenSulfate
refine code
7bbc875
@HydrogenSulfate
update README.md
17223e7
@njzjz njzjz changed the base branch from paddle to paddle2 December 21, 2023 03:13
@HydrogenSulfate HydrogenSulfate mentioned this pull request Dec 22, 2023
Merged
@njzjz njzjz closed this Dec 25, 2023
@HydrogenSulfate HydrogenSulfate deleted the add_spin_energy branch September 3, 2024 14:35
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6 participants
@HydrogenSulfate @njzjz @zhwesky2010 @JiabinYang @amcadmus @jim19930609