Update Validation and cases

.github/workflows/torch_build.yml → .github/workflows/CPU_inferencce_validation.yml

@@ -1,4 +1,4 @@
-name: build with torch
+name: Build and Validation with CPU inference
 on: 
   push:
     branches:
@@ -8,7 +8,8 @@ on:
      - master
 jobs:
   gpu_build:
-    runs-on: ubuntu-latest   
+    runs-on: self-hosted
+    if: github.repository_owner == 'deepmodeling'     
     container: 
       image: ubuntu:20.04
     steps:
@@ -35,15 +36,16 @@ jobs:
         conda install -c cantera libcantera-devel
         conda install pytorch 
         conda install pybind11
+        conda install --channel https://conda.anaconda.org/zhaofeng-shu33 easydict        
         cd /github/home/miniconda3/envs/libcantera/lib
         ln -s libmkl_rt.so.1 libmkl_rt.so.2
 
-     - name: build_notorch
+     - name: build and validation with CPU inference 
        env: 
         OMPI_ALLOW_RUN_AS_ROOT: 1 
         OMPI_ALLOW_RUN_AS_ROOT_CONFIRM: 1 
         OMPI_MCA_btl_vader_single_copy_mechanism: none
        run: 
-        /bin/bash -c "source ~/miniconda3/etc/profile.d/conda.sh && conda activate libcantera && source /opt/openfoam7/etc/bashrc && . install.sh --use_pytorch"
+        /bin/bash -c "source ~/miniconda3/etc/profile.d/conda.sh && conda activate libcantera && source /opt/openfoam7/etc/bashrc && . configure.sh --use_pytorch && source ./bashrc && . install.sh && cd test && ./Allrun && cmake -B build && cmake --build build && cd build && ctest"    
 
 

.gitignore

@@ -45,7 +45,7 @@ build/
 *.tar
 *.tgz
 *.gtgz
-*.pt
+
 
 cantera_build/
 log.*
@@ -54,7 +54,7 @@ log.*
 dynamicCode/
 postProcessing/
 *.out
-*.json
+
 processor*/
 chemkin/
 *.foam

mechanisms/H2/pytorchDNN/ESH2-sub1.json

@@ -0,0 +1,85 @@
+{
+    "seed":20,
+    "mech_path":"/home/yaojunjie/data/mechanism/ES80_H2-7-16.yaml",
+    "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",
+    "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",
+    "Xmu":[
+        956.4666683951323,
+        1.2621251609602075,
+        -8.482865855078037,
+        -8.60195200775564,
+        -7.5687249938092975,
+        -8.739604352829021,
+        -3.0365348658864555,
+        -4.044646973729736,
+        -0.12868046894653598
+    ],
+    "Xstd":[
+        144.56082979138094,
+        0.4316114858005481,
+        1.3421800304159297,
+        1.3271564927376922,
+        1.964747648182199,
+        1.1993472911833807,
+        1.2594695379275647,
+        1.3518816605077604,
+        0.17392016053354714
+    ],
+    "Ymu":[
+        115735.41509559377,
+        4.2646672113712347e-13,
+        8901.112679962635,
+        27135.624769093312,
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+        24712.755148584696,
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+        -493.34322699725413,
+        -4.31138850114707e-12
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+    "Ystd":[
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+        24712.755148584696,
+        372.96514728862553,
+        493.3432269972544,
+        9.409165181242247e-11
+    ]
+}

mechanisms/H2/pytorchDNN/ESH2-sub2.json

@@ -0,0 +1,85 @@
+{
+    "seed": 2022,
+    "mech_path": "Chem/ESH2.yaml",
+    "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",
+    "device": "cuda:6",
+    "n_gpu": 8,
+    "use_DP": false,
+    "use_DDP": false,
+    "local_rank": -1,
+    "world_size": 1,
+    "backend": "nccl",
+    "description": "test",
+    "current_time": "2022-10-19 17:09:44",
+    "Xmu":[
+        1933.118541482812,
+        1.2327983023706526,
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+        -4.266343396329115,
+        -2.6007437468608616,
+        -0.4049762774428252
+    ],
+    "Xstd":[
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+        2.0857655247141387,
+        2.168997234412133,
+        2.707064105162402,
+        2.2681157746245897,
+        2.221785173612795,
+        1.5510851480805254,
+        0.30283229364455927
+    ],
+    "Ymu":[
+        6381847.837202463,
+        4.751063937334583e-14,
+        175072.98234441387,
+        125434.41067566245,
+        285397.9376620931,
+        172924.8443087139,
+        -97451.53428068386,
+        -7160.953630852251,
+        -9.791262408691773e-10
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+    "Ystd":[
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+        1.3523423408265769e-10,
+        179830.51132577812,
+        256152.83860126554,
+        285811.9455262339,
+        263600.5448448552,
+        98110.53711881173,
+        11752.979335965118,
+        4.0735353885293555e-09
+    ]
+}

mechanisms/H2/pytorchDNN/ESH2-sub3.json

@@ -0,0 +1,85 @@
+{
+    "seed":20,
+    "mech_path":"/home/yaojunjie/data/mechanism/ES80_H2-7-16.yaml",
+    "shuffle":true,
+    "batch_size":1024,
+    "valid_batch_size":8192,
+    "train_size":2392228,
+    "valid_size":265804,
+    "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",
+    "device":"cuda:0",
+    "n_gpu":6,
+    "use_DP":false,
+    "use_DDP":true,
+    "local_rank":-1,
+    "world_size":6,
+    "backend":"nccl",
+    "description":"test",
+    "current_time":"2022-10-27 15:06:21",
+    "Xmu":[
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+        -4.346362771443917,
+        -4.657258124450032,
+        -4.537442872141596,
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+    ],
+    "Xstd":[
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+        0.4281422992061657,
+        0.6561518672685264,
+        0.9820405777881894,
+        1.0442969662425572,
+        0.7554583907448359,
+        1.7144519099198097,
+        1.1299391466695952,
+        0.15743252221610685
+    ],
+    "Ymu":[
+        592947.6742955892,
+        5.1584233576272535e-14,
+        -611.0636921032669,
+        -915.1244682112174,
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+        -11.949500174512165,
+        -2660.9187297995336,
+        159.56360614662788,
+        -7.136459430073843e-11
+    ],
+    "Ystd":[
+        592947.6742955892,
+        1.2527170559513018e-10,
+        611.0636921032669,
+        915.1244682112174,
+        519.5930550881994,
+        342.3100987934528,
+        2754.8463649064784,
+        313.3717647966624,
+        2.463374792192512e-10
+    ]
+}

src/dfChemistryModel/dfChemistryModel.H

@@ -181,7 +181,7 @@ public IOdictionary
     scalar Qdotact2_;
     scalar Tact3_;
     scalar Qdotact3_;
-    int coresPerGPU;
+    int coresPerGPU_;
 
     // profiling
     double time_allsolve_;

test/CMakeLists.txt

@@ -12,8 +12,8 @@ set(gtest_force_shared_crt ON CACHE BOOL "" FORCE)
 FetchContent_MakeAvailable(googletest)
 
 
-file(COPY ./df0DFoam/zeroD_cubicReactor/H2/cvodeSolver/postProcessing/probes/0/T DESTINATION 0DH2)
-file(COPY ./df0DFoam/zeroD_cubicReactor/CH4/cvodeSolver/postProcessing/probes/0/T DESTINATION 0DCH4)
+file(COPY ./df0DFoam/postProcessing/probes/0/T DESTINATION 0DH2)
+
 file(COPY ./dfHighSpeedFoam/oneD_detonationH2/postProcessing/minMax/0/fieldMinMax.dat DESTINATION 1Ddetonation)
 file(COPY ./dfLowMachFoam/twoD_reactingTGV/H2/cvodeSolver/postProcessing/sample/0.0005/data_T.xy DESTINATION 2DTGV/5)
 file(COPY ./dfLowMachFoam/twoD_reactingTGV/H2/cvodeSolver/postProcessing/sample/0.0004/data_T.xy DESTINATION 2DTGV/4)