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Merged
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Nov 11, 2022
Merged

update settings of examples and add libtorchDNN #136

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6e71e73
update settings of examples and add libtorchDNN
hhflame Nov 11, 2022
84c184b
Merge branch 'deepmodeling:master' into master
hhflame Nov 11, 2022
973ae56
add libtorchDNN
hhflame Nov 11, 2022
d16fce1
add soft links to libtorchDNN
hhflame Nov 11, 2022
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2 changes: 0 additions & 2 deletions examples/df0DFoam/zeroD_cubicReactor/CH4/torchIntegrator/Allclean
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Expand Up @@ -7,5 +7,3 @@ echo "Cleaning polyMesh/"
rm -r constant/polyMesh
echo "Cleaning postProcessing/"
rm -r postProcessing
echo "Cleaning torch *.pt"
rm *.pt
2 changes: 0 additions & 2 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/Allclean
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Expand Up @@ -7,5 +7,3 @@ echo "Cleaning polyMesh/"
rm -r constant/polyMesh
echo "Cleaning postProcessing/"
rm -r postProcessing
echo "Cleaning torch *.pt"
rm *.pt
104 changes: 39 additions & 65 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/constant/CanteraTorchProperties
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Expand Up @@ -7,88 +7,62 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;
chemistry on;

CanteraMechanismFile "ES80_H2-7-16.yaml";
transportModel "UnityLewis";

transportModel "Mix"; //"UnityLewis";

odeCoeffs
{
// "relTol" 1e-6;
// "absTol" 1e-10;
"relTol" 1e-15;
"absTol" 1e-24;
}
inertSpecie "N2";

inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";
}

torch on;
torchModel "modelName.pt";
torchParameters
{
Xmu
(
1933.118541482812
1.2327983023706526
-5.705591538151852
-6.446971251373195
-4.169802387800032
-6.1200334699867165
-4.266343396329115
-2.6007437468608616
-0.4049762774428252
);
torch on;
GPU on;
torchModel1 "new_ESH2sub1.pt";
torchModel2 "new_ESH2sub2.pt";
torchModel3 "new_ESH2sub3.pt";

Xstd
(
716.6568054751183
0.43268544913281914
2.0857655247141387
2.168997234412133
2.707064105162402
2.2681157746245897
2.221785173612795
1.5510851480805254
0.30283229364455927
);
torchParameters1
{
Tact 700;
Qdotact 3e+07;
coresPerGPU 4;
}

Ymu
(
6381847.837202463
4.751063937334583e-14
175072.98234441387
125434.41067566245
285397.9376620931
172924.8443087139
-97451.53428068386
-7160.953630852251
-9.791262408691773e-10
);
torchParameters2
{
Tact 2000;
Qdotact 3e+07;
}

Ystd
(
6396799.801910002
1.3523423408265769e-10
179830.51132577812
256152.83860126554
285811.9455262339
263600.5448448552
98110.53711881173
11752.979335965118
4.0735353885293555e-09
);
torchParameters3
{
Tact 2000;
Qdotact 7e+08;
}

loadbalancing
{
active false;
//log true;
active false;
//log true;
}


// ************************************************************************* //
22 changes: 5 additions & 17 deletions examples/dfSprayFoam/aachenBomb/0/k → ...hIntegrator/constant/combustionProperties
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Expand Up @@ -8,25 +8,13 @@
FoamFile
{
version 2.0;
format binary;
class volScalarField;
location "0";
object k;
format ascii;
class dictionary;
location "constant";
object combustionProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

dimensions [0 2 -2 0 0 0 0];

internalField uniform 1;

boundaryField
{
walls
{
type kqRWallFunction;
value uniform 1;
}
}

combustionModel laminar;

// ************************************************************************* //
1 change: 1 addition & 0 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/new_ESH2sub1.pt
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@@ -0,0 +1 @@
../../../../../mechanisms/H2/libtorchDNN/new_ESH2sub1.pt
1 change: 1 addition & 0 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/new_ESH2sub2.pt
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Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
../../../../../mechanisms/H2/libtorchDNN/new_ESH2sub2.pt
1 change: 1 addition & 0 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/new_ESH2sub3.pt
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@@ -0,0 +1 @@
../../../../../mechanisms/H2/libtorchDNN/new_ESH2sub3.pt
2 changes: 0 additions & 2 deletions examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/Allclean
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Original file line number Diff line number Diff line change
Expand Up @@ -7,5 +7,3 @@ echo "Cleaning polyMesh/"
rm -r constant/polyMesh
echo "Cleaning postProcessing/"
rm -r postProcessing
echo "Cleaning torch *.pt"
rm *.pt
104 changes: 39 additions & 65 deletions examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
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Original file line number Diff line number Diff line change
Expand Up @@ -7,88 +7,62 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;
chemistry on;

CanteraMechanismFile "ES80_H2-7-16.yaml";
transportModel "UnityLewis";

transportModel "Mix"; //"UnityLewis";

odeCoeffs
{
// "relTol" 1e-6;
// "absTol" 1e-10;
"relTol" 1e-15;
"absTol" 1e-24;
}
inertSpecie "N2";

inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";
}

torch on;
torchModel "modelName.pt";
torchParameters
{
Xmu
(
1933.118541482812
1.2327983023706526
-5.705591538151852
-6.446971251373195
-4.169802387800032
-6.1200334699867165
-4.266343396329115
-2.6007437468608616
-0.4049762774428252
);
torch on;
GPU on;
torchModel1 "new_ESH2sub1.pt";
torchModel2 "new_ESH2sub2.pt";
torchModel3 "new_ESH2sub3.pt";

Xstd
(
716.6568054751183
0.43268544913281914
2.0857655247141387
2.168997234412133
2.707064105162402
2.2681157746245897
2.221785173612795
1.5510851480805254
0.30283229364455927
);
torchParameters1
{
Tact 700;
Qdotact 3e+07;
coresPerGPU 4;
}

Ymu
(
6381847.837202463
4.751063937334583e-14
175072.98234441387
125434.41067566245
285397.9376620931
172924.8443087139
-97451.53428068386
-7160.953630852251
-9.791262408691773e-10
);
torchParameters2
{
Tact 2000;
Qdotact 3e+07;
}

Ystd
(
6396799.801910002
1.3523423408265769e-10
179830.51132577812
256152.83860126554
285811.9455262339
263600.5448448552
98110.53711881173
11752.979335965118
4.0735353885293555e-09
);
torchParameters3
{
Tact 2000;
Qdotact 7e+08;
}

loadbalancing
{
active false;
//log true;
active false;
//log true;
}


// ************************************************************************* //
22 changes: 5 additions & 17 deletions examples/dfSprayFoam/aachenBomb/0/nut → ...hIntegrator/constant/combustionProperties
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Original file line number Diff line number Diff line change
Expand Up @@ -8,25 +8,13 @@
FoamFile
{
version 2.0;
format binary;
class volScalarField;
location "0";
object nut;
format ascii;
class dictionary;
location "constant";
object combustionProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

dimensions [0 2 -1 0 0 0 0];

internalField uniform 0;

boundaryField
{
walls
{
type nutkWallFunction;
value uniform 0;
}
}

combustionModel laminar;

// ************************************************************************* //
42 changes: 0 additions & 42 deletions examples/dfHighSpeedFoam/oneD_reactiveShockTube/0_orig/AR
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