deepmodeling · JX278 · Mar 27, 2023 · Feb 13, 2023 · Feb 13, 2023 · Feb 13, 2023
diff --git a/.github/workflows/CPU_inferencce_validation.yml b/.github/workflows/CPU_inferencce_validation.yml
@@ -26,36 +26,45 @@ jobs:
         sudo apt-get update
         export DEBIAN_FRONTEND=noninteractive
         apt-get -y install openfoam7 
-        git clone https://github.com/deepmodeling/deepflame-dev.git
-        cd deepflame-dev   
         wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
-        wget https://mirrors.edge.kernel.org/ubuntu/pool/main/libf/libffi/libffi7_3.3-4_amd64.deb
         bash Miniconda3-latest-Linux-x86_64.sh -b
         . ~/miniconda3/etc/profile.d/conda.sh
         conda create -n libcantera python=3.8
         conda activate libcantera
         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
+        conda install pytorch pybind11
+        conda install --channel https://conda.anaconda.org/zhaofeng-shu33 easydict
+        git clone https://github.com/deepmodeling/deepflame-dev.git
+        cd deepflame-dev
+
 
      - 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 "git clone https://github.com/deepcombustion/deepcombustion.git && cp -r deepcombustion/DeePCK/Model/HE04_Hydrogen_ESH2_GMS_sub_20221101/ mechanisms/ && source ~/miniconda3/etc/profile.d/conda.sh && conda activate libcantera && source /opt/openfoam7/etc/bashrc 
+        /bin/bash -c " echo $PWD && ls $PWD
+        && wget https://github.com/JX278/DeepFlame-flareFGM-table/raw/main/flareFGM_Table_Download.zip
+        && unzip flareFGM_Table_Download.zip
+        && ls $PWD
+        && ls flareFGM_Table_Download
+        && cp -r flareFGM_Table_Download/SandiaD/flare.tbl examples/dfLowMachFoam/2DSandiaD_flareFGM/
+        && git clone https://github.com/deepcombustion/deepcombustion.git 
+        && cp -r deepcombustion/DeePCK/Model/HE04_Hydrogen_ESH2_GMS_sub_20221101/ mechanisms/ && 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 && conda deactivate "
-   
+
      - name: test 
        run: | 
          cd test
          cmake -B build
          cmake --build build 
          cd build 
-         ctest   
+         ctest
+
+
+
+
 
 
diff --git a/.gitignore b/.gitignore
@@ -69,3 +69,4 @@ libtorch*.zip*
 __pycache__/
 lib/
 bin/
+.vscode/
diff --git a/README.md b/README.md
@@ -1,4 +1,21 @@
-# DeepFlame v1.0.0
+<p align="center">
+    <a href="https://github.com/deepmodeling/deepflame-dev">
+        <img src="https://user-images.githubusercontent.com/121787251/218061666-eb9e4188-d368-41d0-8ed6-fe5121699efe.jpg">
+    </a>
+    <a href="https://github.com/deepmodeling/deepflame-dev/releases">
+        <img src="https://img.shields.io/github/v/release/deepmodeling/deepflame-dev?include_prereleases&label=latest%20release&style=for-the-badge">
+    </a>    
+    <a href="https://github.com/deepmodeling/deepflame-dev/pulls">
+        <img src="https://img.shields.io/badge/contributions-welcome-red.svg?style=for-the-badge">
+    </a>    
+    <a href="https://github.com/deepmodeling/deepflame-dev/blob/master/LICENSE">
+        <img src="https://img.shields.io/github/license/deepmodeling/deepflame-dev?color=yellow&logo=GitHub&style=for-the-badge">
+    </a>    
+    <a href="https://deepflame.deepmodeling.com/en/latest/">
+        <img src="https://img.shields.io/website?label=Documentation%20HomePage&style=for-the-badge&up_message=online&url=https%3A%2F%2Fdeepflame.deepmodeling.com%2Fen%2Flatest%2F">
+    </a>  
+</p>
+
 DeepFlame is a deep learning empowered computational fluid dynamics package for single or multiphase, laminar or turbulent, reacting flows at all speeds. It aims to provide an open-source platform to combine the individual strengths of [OpenFOAM](https://openfoam.org), [Cantera](https://cantera.org), and [PyTorch](https://pytorch.org/) libraries for deep learning assisted reacting flow simulations. It also has the scope to leverage the next-generation heterogenous supercomputing and AI acceleration infrastructures such as GPU and FPGA.
 
 The deep learning algorithms and models used in the DeepFlame tutorial examples are developed and trained independently by our collaborators team – [DeepCombustion](https://github.com/deepcombustion/deepcombustion). Please refer to their website for detailed information.
@@ -7,8 +24,15 @@ The deep learning algorithms and models used in the DeepFlame tutorial examples
 Detailed guide for installation and tutorials is available on [our documentation website](https://deepflame.deepmodeling.com).
 
 ## Features
-New in v0.6.0 (2022/11/14):
+New features as of 2023/03/01:
+- New load balancing algorithm
+- Add support for solving chemical source term simultaneously on GPU (DNN) and CPU (CVODE)
+- Add FGM model
+- Reconstruct dfChemistryModel 
+
+New in v1.0.0 (2022/11/15):
 - Add support for the parallel computation of DNN using libtorch on multiple GPUs 
+- Add TCI model
 
 New in v0.5.0 (2022/10/15):
 - Add support for the parallel computation of DNN via single and multiple GPUs

diff --git a/docs/source/qs/examples.rst b/docs/source/qs/examples.rst
@@ -78,7 +78,7 @@ If the case is successfully run, the result can be found in ``/postProcessing/pr
 
 .. code-block:: bash
 
-    gunplot
+    gnuplot
     plot "/your/path/to/postProcessing/probes/0/T"
 
 You will get a graph:

diff --git a/examples/df0DFoam/zeroD_cubicReactor/CH4/pytorchIntegrator/constant/CanteraTorchProperties b/examples/df0DFoam/zeroD_cubicReactor/CH4/pytorchIntegrator/constant/CanteraTorchProperties
@@ -49,6 +49,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/df0DFoam/zeroD_cubicReactor/H2/cvodeIntegrator/constant/CanteraTorchProperties b/examples/df0DFoam/zeroD_cubicReactor/H2/cvodeIntegrator/constant/CanteraTorchProperties
@@ -49,6 +49,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/constant/CanteraTorchProperties b/examples/df0DFoam/zeroD_cubicReactor/H2/libtorchIntegrator/constant/CanteraTorchProperties
@@ -52,6 +52,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties b/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
@@ -38,7 +38,7 @@ splittingStrategy    off;
 
 TorchSettings
 {
-    torch            off;
+    torch            on;
     GPU              off;
     log              on;
     torchModel       "HE04_Hydrogen_ESH2_GMS_sub_20221101"; 
@@ -49,6 +49,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/dfHighSpeedFoam/oneD_detonationH2/Allrun b/examples/dfHighSpeedFoam/oneD_detonationH2/Allrun
@@ -10,4 +10,4 @@ cp -r 0_orig/ 0/
 runApplication blockMesh
 runApplication setFields
 runApplication decomposePar
-runApplication mpirun --oversubscribe -np 8 $application -parallel
+runApplication mpirun -np 8 $application -parallel
diff --git a/examples/dfHighSpeedFoam/oneD_detonationH2/constant/CanteraTorchProperties b/examples/dfHighSpeedFoam/oneD_detonationH2/constant/CanteraTorchProperties
@@ -44,6 +44,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/dfHighSpeedFoam/oneD_reactiveShockTube/constant/CanteraTorchProperties b/examples/dfHighSpeedFoam/oneD_reactiveShockTube/constant/CanteraTorchProperties
@@ -44,6 +44,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/dfHighSpeedFoam/twoD_detonationH2/constant/CanteraTorchProperties b/examples/dfHighSpeedFoam/twoD_detonationH2/constant/CanteraTorchProperties
@@ -44,6 +44,7 @@ loadbalancing
 {
     active           true;
     log              false;
+    algorithm        allAverage;//headTail;
 }
 
 

diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/G.gz b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/G.gz
diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/He b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/He
@@ -0,0 +1,75 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.1                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      c;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 1907;
+
+boundaryField
+{
+    wallTube
+    {
+        type            zeroGradient;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    inletPilot
+    {
+        type            fixedValue;
+        value           uniform -170863.69815950916;
+    }
+
+    inletAir
+    {
+        type            fixedValue;
+        value           uniform 35298.7;
+    }
+
+    wallOutside
+    {
+        type            zeroGradient;
+    }
+
+    inletCH4
+    {
+        type            fixedValue;
+        value           uniform -714081.00107;
+    }
+
+    axis
+    {
+        type            empty;
+    }
+
+    frontAndBack_pos
+    {
+        type            wedge;
+    }
+    frontAndBack_neg
+    {
+        type            wedge;
+    }
+
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/N2 b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/N2
@@ -0,0 +1,69 @@
+/*--------------------------------*- 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       volScalarField;
+    location    "0";
+    object      N2;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 0.77;
+
+boundaryField
+{
+    inletCH4
+    {
+        type            fixedValue;
+        value           uniform 0.6473;
+    }
+
+    wallOutside
+    {
+        type            zeroGradient;
+    }
+
+    wallTube
+    {
+        type            zeroGradient;
+    }
+
+    inletPilot
+    {
+        type            fixedValue;
+        value           uniform 0.7342;
+    }
+
+    inletAir
+    {
+        type            fixedValue;
+        value           uniform 0.77;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    frontAndBack_pos
+    {
+        type            wedge;
+    }
+
+    frontAndBack_neg
+    {
+        type            wedge;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/T b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/T
@@ -0,0 +1,69 @@
+/*--------------------------------*- 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       volScalarField;
+    location    "0";
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 300;
+
+boundaryField
+{
+    inletCH4
+    {
+        type            fixedValue;
+        value           uniform 294;
+    }
+
+    wallOutside
+    {
+        type            zeroGradient;
+    }
+
+    wallTube
+    {
+        type            zeroGradient;
+    }
+
+    inletPilot
+    {
+        type            fixedValue;
+        value           uniform 1880;
+    }
+
+    inletAir
+    {
+        type            fixedValue;
+        value           uniform 291;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    frontAndBack_pos
+    {
+        type            wedge;
+    }
+
+    frontAndBack_neg
+    {
+        type            wedge;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/U.gz b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/U.gz
diff --git a/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/Ydefault.gz b/examples/dfLowMachFoam/2DSandiaD_flareFGM/0/Ydefault.gz
-Original file line number
+Diff line change
@@ Expand Up / @@ -69,3 +69,4 @@ libtorch*.zip* @@
     __pycache__/
     lib/
     bin/
+    .vscode/