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modify docs & modify the load strategy of neural networks when use pytorch by maorz1998 · Pull Request #151 · deepmodeling/deepflame-dev · GitHub

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modify docs & modify the load strategy of neural networks when use pytorch #151

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maorz1998 merged 4 commits into from
Nov 15, 2022
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modify docs & modify the load strategy of neural networks when use pytorch #151

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97306ae
Update input.rst
maorz1998 Nov 15, 2022
cac56aa
Update input.rst
maorz1998 Nov 15, 2022
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modify the load strategy of neural networks when use pytorch
maorz1998 Nov 15, 2022
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Merge branch 'master' of github.com:maorz1998/deepflame-dev
maorz1998 Nov 15, 2022
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    • inference.py
    • mechanisms
      • model5000.pt
      • norm.json
      • settings.json
      • model5000.pt
      • norm.json
      • settings.json
      • model5000.pt
      • norm.json
      • settings.json
      • ESH2.inp
      • ESH2.yaml
      • ESH2_thermo.dat
      • ESH2_transport.dat
4 changes: 2 additions & 2 deletions docs/source/qs/input.rst
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@@ -1,6 +1,6 @@
Brief Introduction to Inputs
======================================
The dictionary ``CanteraTorchProperties`` is the original dictionay of DeepFlame. It read in netowrk realted parameters and configurations. It typically looks like:
The dictionary ``CanteraTorchProperties`` is the original dictionay of DeepFlame. It read in network related parameters and configurations. It typically looks like:

.. code-block::

Expand Down Expand Up @@ -28,7 +28,7 @@ The dictionary ``CanteraTorchProperties`` is the original dictionay of DeepFlame
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
coresPerGPU 4;
coresPerNode 4;

}
loadbalancing
Expand Down
6 changes: 2 additions & 4 deletions examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
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Expand Up @@ -39,11 +39,9 @@ splittingStrategy off;
TorchSettings
{
torch on;
GPU off;
GPU on;
log on;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
torchModel "HE04_Hydrogen_ESH2_GMS_sub_20221101";
coresPerNode 4;
}

Expand Down
76 changes: 40 additions & 36 deletions examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/inference.py
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Expand Up @@ -53,20 +53,17 @@ def forward(self, x):
path_r = r"./constant/CanteraTorchProperties"
with open(path_r, "r") as f:
data = f.read()
i = data.index('torchModel1')
i = data.index('torchModel')
a = data.index('"',i)
b = data.index('.',a+1)
moduleName1 = data[a+1:b]

i = data.index('torchModel2')
a = data.index('"',i)
b = data.index('.',a+1)
moduleName2 = data[a+1:b]

i = data.index('torchModel3')
a = data.index('"',i)
b = data.index('.',a+1)
moduleName3 = data[a+1:b]
b = data.index('sub',a)
c = data.index('"',b+1)
modelName_split1 = data[a+1:b+3]
modelName_split2 = data[b+3:c]

modelPath = str(modelName_split1+modelName_split2)
model1Path = str("mechanisms/"+modelPath+"/"+modelName_split1+"1"+modelName_split2+"/checkpoint/")
model2Path = str("mechanisms/"+modelPath+"/"+modelName_split1+"2"+modelName_split2+"/checkpoint/")
model3Path = str("mechanisms/"+modelPath+"/"+modelName_split1+"3"+modelName_split2+"/checkpoint/")

i = data.index('GPU')
a = data.index(';', i)
Expand All @@ -90,44 +87,51 @@ def forward(self, x):

#glbal variable will only init once when called interperter
#load parameters from json
setting0 = json2Parser(str("pytorchDNN/"+moduleName1+".json"))
setting1 = json2Parser(str("pytorchDNN/"+moduleName2+".json"))
setting2 = json2Parser(str("pytorchDNN/"+moduleName3+".json"))
#print(str("pytorchDNN/"+moduleName1+".json"))

norm0 = json2Parser(str(model1Path+"norm.json"))
norm1 = json2Parser(str(model2Path+"norm.json"))
norm2 = json2Parser(str(model3Path+"norm.json"))
setting0 = json2Parser(str(model1Path+"settings.json"))
lamda = setting0.power_transform
delta_t = setting0.delta_t
dim = setting0.dim
layers = setting0.layers


Xmu0 = torch.tensor(setting0.Xmu).unsqueeze(0).to(device)
Xstd0 = torch.tensor(setting0.Xstd).unsqueeze(0).to(device=device)
Ymu0 = torch.tensor(setting0.Ymu).unsqueeze(0).to(device=device)
Ystd0 = torch.tensor(setting0.Ystd).unsqueeze(0).to(device=device)
Xmu0 = torch.tensor(norm0.input_mean).unsqueeze(0).to(device=device)
Xstd0 = torch.tensor(norm0.input_std).unsqueeze(0).to(device=device)
Ymu0 = torch.tensor(norm0.label_mean).unsqueeze(0).to(device=device)
Ystd0 = torch.tensor(norm0.label_std).unsqueeze(0).to(device=device)

Xmu1 = torch.tensor(setting1.Xmu).unsqueeze(0).to(device=device)
Xstd1 = torch.tensor(setting1.Xstd).unsqueeze(0).to(device=device)
Ymu1 = torch.tensor(setting1.Ymu).unsqueeze(0).to(device=device)
Ystd1 = torch.tensor(setting1.Ystd).unsqueeze(0).to(device=device)
Xmu1 = torch.tensor(norm1.input_mean).unsqueeze(0).to(device=device)
Xstd1 = torch.tensor(norm1.input_std).unsqueeze(0).to(device=device)
Ymu1 = torch.tensor(norm1.label_mean).unsqueeze(0).to(device=device)
Ystd1 = torch.tensor(norm1.label_std).unsqueeze(0).to(device=device)

Xmu2 = torch.tensor(setting2.Xmu).unsqueeze(0).to(device=device)
Xstd2 = torch.tensor(setting2.Xstd).unsqueeze(0).to(device=device)
Ymu2 = torch.tensor(setting2.Ymu).unsqueeze(0).to(device=device)
Ystd2 = torch.tensor(setting2.Ystd).unsqueeze(0).to(device=device)
Xmu2 = torch.tensor(norm2.input_mean).unsqueeze(0).to(device=device)
Xstd2 = torch.tensor(norm2.input_std).unsqueeze(0).to(device=device)
Ymu2 = torch.tensor(norm2.label_mean).unsqueeze(0).to(device=device)
Ystd2 = torch.tensor(norm2.label_std).unsqueeze(0).to(device=device)

#load module
#load model
model0 = Net()
model1 = Net()
model2 = Net()

path_list=os.listdir(model1Path)
for filename in path_list:
if os.path.splitext(filename)[1] == '.pt':
modelname = filename


if torch.cuda.is_available()==False:
check_point0 = torch.load(str("pytorchDNN/"+moduleName1+".pt"), map_location='cpu')
check_point1 = torch.load(str("pytorchDNN/"+moduleName2+".pt"), map_location='cpu')
check_point2 = torch.load(str("pytorchDNN/"+moduleName3+".pt"), map_location='cpu')
check_point0 = torch.load(str(model1Path+modelname), map_location='cpu')
check_point1 = torch.load(str(model2Path+modelname), map_location='cpu')
check_point2 = torch.load(str(model3Path+modelname), map_location='cpu')
else:
check_point0 = torch.load(str("pytorchDNN/"+moduleName1+".pt"))
check_point1 = torch.load(str("pytorchDNN/"+moduleName2+".pt"))
check_point2 = torch.load(str("pytorchDNN/"+moduleName3+".pt"))
check_point0 = torch.load(str(model1Path+modelname))
check_point1 = torch.load(str(model2Path+modelname))
check_point2 = torch.load(str(model3Path+modelname))

model0.load_state_dict(check_point0)
model1.load_state_dict(check_point1)
Expand Down
1 change: 1 addition & 0 deletions examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/mechanisms
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Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
/home/runze/1115/deepflame-dev/mechanisms/
Binary file added ...drogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub1_20221101/checkpoint/model5000.pt
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46 changes: 46 additions & 0 deletions ..._Hydrogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub1_20221101/checkpoint/norm.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,46 @@
{
"input_mean":[
956.4666683951323,
1.2621251609602075,
-8.482865855078037,
-8.60195200775564,
-7.5687249938092975,
-8.739604352829021,
-3.0365348658864555,
-4.044646973729736,
-0.12868046894653598
],
"label_mean":[
115735.41509559377,
4.2646672113712347e-13,
8901.112679962635,
27135.624769093312,
30141.97503208172,
24712.755148584696,
-372.9651472886253,
-493.34322699725413,
-4.31138850114707e-12
],
"input_std":[
144.56082979138094,
0.4316114858005481,
1.3421800304159297,
1.3271564927376922,
1.964747648182199,
1.1993472911833807,
1.2594695379275647,
1.3518816605077604,
0.17392016053354714
],
"label_std":[
115735.41509559377,
1.1513875522375139e-10,
8901.112679962635,
27135.624769093312,
30141.97503208172,
24712.755148584696,
372.96514728862553,
493.3432269972544,
9.409165181242247e-11
]
}
45 changes: 45 additions & 0 deletions ...rogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub1_20221101/checkpoint/settings.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,45 @@
{
"seed":20,
"mech_path":"/home/yaojunjie/data/mechanism/ES80_H2-7-16.yaml",
"input_path":"/home/yaojunjie/data/ESH2/data/sub1-2/X.npy",
"label_path":"/home/yaojunjie/data/ESH2/data/sub1-2/Y.npy",
"shuffle":true,
"batch_size":1024,
"valid_batch_size":8192,
"train_size":10735978,
"valid_size":1192887,
"valid_ratio":0.1,
"prefetch":10,
"num_workers":16,
"pin_memory":true,
"power_transform":0.1,
"delta_t":1e-06,
"dim":9,
"layers":[
9,
1600,
800,
400,
9
],
"net_type":"fc",
"actfun":"CustomGELU",
"max_epoch":5000,
"epoch_decay":2500,
"learnrate":0.0001,
"lr_decay_rate":0.1,
"batch_grow_rate":128,
"lossfun":"L1",
"optim":"Adam",
"modelname":"HE04_Hydrogen_ESH2_sub1-2_20221028",
"model_path":"Model/HE04_Hydrogen_ESH2_sub1-2_20221028",
"device":"cuda:0",
"n_gpu":8,
"use_DP":false,
"use_DDP":true,
"local_rank":-1,
"world_size":8,
"backend":"nccl",
"description":"test",
"current_time":"2022-10-28 00:02:52"
}
Binary file added ...drogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub2_20221101/checkpoint/model5000.pt
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46 changes: 46 additions & 0 deletions ..._Hydrogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub2_20221101/checkpoint/norm.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,46 @@
{
"input_mean": [
1933.118541482812,
1.2327983023706526,
-5.705591538151852,
-6.446971251373195,
-4.169802387800032,
-6.1200334699867165,
-4.266343396329115,
-2.6007437468608616,
-0.4049762774428252
],
"label_mean": [
6381847.837202463,
4.751063937334583e-14,
175072.98234441387,
125434.41067566245,
285397.9376620931,
172924.8443087139,
-97451.53428068386,
-7160.953630852251,
-9.791262408691773e-10
],
"input_std": [
716.6568054751183,
0.43268544913281914,
2.0857655247141387,
2.168997234412133,
2.707064105162402,
2.2681157746245897,
2.221785173612795,
1.5510851480805254,
0.30283229364455927
],
"label_std": [
6396799.801910002,
1.3523423408265769e-10,
179830.51132577812,
256152.83860126554,
285811.9455262339,
263600.5448448552,
98110.53711881173,
11752.979335965118,
4.0735353885293555e-09
]
}
45 changes: 45 additions & 0 deletions ...rogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub2_20221101/checkpoint/settings.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,45 @@
{
"seed": 2022,
"mech_path": "Chem/ESH2.yaml",
"input_path": "Data/ESH2/hydrogen_ESH2_642wGMS1_X.npy",
"label_path": "Data/ESH2/hydrogen_ESH2_642wGMS1_Y.npy",
"shuffle": true,
"batch_size": 1024,
"valid_batch_size": 8192,
"train_size": 5792898,
"valid_size": 643656,
"valid_ratio": 0.1,
"prefetch": 10,
"num_workers": 16,
"pin_memory": true,
"power_transform": 0.1,
"delta_t": 1e-06,
"dim": 9,
"layers": [
9,
1600,
800,
400,
9
],
"net_type": "fc",
"actfun": "CustomGELU",
"max_epoch": 5000,
"epoch_decay": 2500,
"learnrate": 0.0001,
"lr_decay_rate": 0.1,
"batch_grow_rate": 128,
"lossfun": "L1",
"optim": "Adam",
"modelname": "HE03_Hydrogen_ESH2_GMS_20221019",
"model_path": "Model/HE03_Hydrogen_ESH2_GMS_20221019",
"device": "cuda:6",
"n_gpu": 8,
"use_DP": false,
"use_DDP": false,
"local_rank": -1,
"world_size": 1,
"backend": "nccl",
"description": "ESH2 GMS1 Model",
"current_time": "2022-10-19 17:09:44"
}
Binary file added ...drogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub3_20221101/checkpoint/model5000.pt
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46 changes: 46 additions & 0 deletions ..._Hydrogen_ESH2_GMS_sub_20221101/HE04_Hydrogen_ESH2_GMS_sub3_20221101/checkpoint/norm.json
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@@ -0,0 +1,46 @@
{
"input_mean":[
2717.141719004927,
1.2871371577864235,
-5.240181052513087,
-4.8947914078286345,
-3.117070179161789,
-4.346362771443917,
-4.657258124450032,
-4.537442872141596,
-0.11656950757756744
],
"label_mean":[
592947.6742955892,
5.1584233576272535e-14,
-611.0636921032669,
-915.1244682112174,
519.5930550881994,
-11.949500174512165,
-2660.9187297995336,
159.56360614662788,
-7.136459430073843e-11
],
"input_std":[
141.48030419772115,
0.4281422992061657,
0.6561518672685264,
0.9820405777881894,
1.0442969662425572,
0.7554583907448359,
1.7144519099198097,
1.1299391466695952,
0.15743252221610685
],
"label_std":[
592947.6742955892,
1.2527170559513018e-10,
611.0636921032669,
915.1244682112174,
519.5930550881994,
342.3100987934528,
2754.8463649064784,
313.3717647966624,
2.463374792192512e-10
]
}
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