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Merge pull request #144 from hhflame/master
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restore odeCoeffs to -6 & -10 in torch cases
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@JX278
JX278 authored Nov 14, 2022
2 parents d91288f + 828477d commit 787fcaf
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Showing 44 changed files with 607 additions and 549 deletions.
61 changes: 29 additions & 32 deletions examples/df0DFoam/zeroD_cubicReactor/CH4/pytorchIntegrator/constant/CanteraTorchProperties
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Expand Up @@ -7,55 +7,52 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object CanteraTorchProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;

chemistry on;
CanteraMechanismFile "drm19.yml";
transportModel "Mix";//"UnityLewis";

transportModel "Mix";

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

inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";//cvorcp "UV";
constantProperty "pressure";
}

torch on;
GPU on;
torchModel1 "modeldrm19_0.pt";
torchModel2 "modeldrm19_1.pt";
torchModel3 "modeldrm19_2.pt";
splittingStrategy off;

torchParameters1
{
Tact 700 ;
Qdotact 3e7;
coresPerGPU 4;
}
torchParameters2
TorchSettings
{
Tact 2000;
Qdotact 3e7;
}
torchParameters3
{
Tact 2000;
Qdotact 7e8;
torch on;
GPU on;
log on;
torchModel1 "modeldrm19_0.pt";
torchModel2 "modeldrm19_1.pt";
torchModel3 "modeldrm19_2.pt";
coresPerGPU 4;
GPUsPerNode 4;
}

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


// ************************************************************************* //
61 changes: 29 additions & 32 deletions examples/df0DFoam/zeroD_cubicReactor/H2/cvodeIntegrator/constant/CanteraTorchProperties
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Original file line number Diff line number Diff line change
Expand Up @@ -7,55 +7,52 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object CanteraTorchProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;

chemistry on;
CanteraMechanismFile "ES80_H2-7-16.yaml";
transportModel "Mix";//"UnityLewis";

transportModel "Mix";

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

inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";//cvorcp "UV";
constantProperty "pressure";
}

torch off;
GPU off;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
splittingStrategy off;

torchParameters1
{
Tact 700 ;
Qdotact 3e7;
coresPerGPU 4;
}
torchParameters2
TorchSettings
{
Tact 2000;
Qdotact 3e7;
}
torchParameters3
{
Tact 2000;
Qdotact 7e8;
torch off;
GPU off;
log off;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
coresPerGPU 4;
GPUsPerNode 4;
}

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


// ************************************************************************* //
1 change: 0 additions & 1 deletion examples/df0DFoam/zeroD_cubicReactor/H2/cvodeIntegrator/pytorchDNN
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This file was deleted.

3 changes: 2 additions & 1 deletion examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/Allrun
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Original file line number Diff line number Diff line change
Expand Up @@ -7,4 +7,5 @@ cd ${0%/*} || exit 1 # Run from this directory
application=df0DFoam

runApplication blockMesh
runApplication $application
runApplication decomposePar
runApplication mpirun -np 4 $application -parallel
47 changes: 22 additions & 25 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/constant/CanteraTorchProperties
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Original file line number Diff line number Diff line change
Expand Up @@ -7,54 +7,51 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object CanteraTorchProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;
chemistry on;

CanteraMechanismFile "ES80_H2-7-16.yaml";

transportModel "Mix"; //"UnityLewis";
transportModel "Mix";

odeCoeffs
{
"relTol" 1e-15;
"absTol" 1e-24;
"relTol" 1e-15;
"absTol" 1e-24;
}

inertSpecie "N2";
inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";
}

torch on;
GPU on;
torchModel1 "new_ESH2sub1.pt";
torchModel2 "new_ESH2sub2.pt";
torchModel3 "new_ESH2sub3.pt";
splittingStrategy off;

TorchSettings
{
torch off;
GPU off;
log on;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
coresPerGPU 4;
GPUsPerNode 4
torch on;
GPU on;
log on;
torchModel1 "new_ESH2sub1.pt";
torchModel2 "new_ESH2sub2.pt";
torchModel3 "new_ESH2sub3.pt";
coresPerGPU 4;
GPUsPerNode 4;
}

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


Expand Down
45 changes: 45 additions & 0 deletions examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/system/decomposeParDict
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Original file line number Diff line number Diff line change
@@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: 7
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

numberOfSubdomains 4;

method scotch;

simpleCoeffs
{
n (4 1 1);
delta 0.001;
}

hierarchicalCoeffs
{
n (1 1 1);
delta 0.001;
order xyz;
}

manualCoeffs
{
dataFile "";
}

distributed no;

roots ( );


// ************************************************************************* //
50 changes: 30 additions & 20 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 @@ -7,42 +7,52 @@
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
version 2.0;
format ascii;
class dictionary;
location "constant";
object CanteraTorchProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

chemistry on;

chemistry on;
CanteraMechanismFile "ES80_H2-7-16.yaml";
transportModel "Mix";//"UnityLewis";

transportModel "Mix";

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

inertSpecie "N2";

zeroDReactor
{
constantProperty "pressure";//cvorcp "UV";
constantProperty "pressure";
}

splittingStrategy off;

TorchSettings
{
torch on;
GPU off;
log on;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
coresPerGPU 4;
torch on;
GPU on;
log on;
torchModel1 "ESH2-sub1.pt";
torchModel2 "ESH2-sub2.pt";
torchModel3 "ESH2-sub3.pt";
coresPerGPU 4;
GPUsPerNode 4;
}

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


// ************************************************************************* //
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