add a test for torch

.github/workflows/CPU_inferencce_validation.yml

@@ -33,6 +33,7 @@ jobs:
         conda create -n libcantera python=3.8
         conda activate libcantera
         conda install -c cantera libcantera-devel=2.6
+        conda install -c cantera cantera
         conda install pytorch pybind11
         conda install pkg-config
         conda install --channel https://conda.anaconda.org/zhaofeng-shu33 easydict
@@ -51,8 +52,7 @@ jobs:
         && unzip flare_CH4_SandiaD_4D.zip
         && ls $PWD
         && cp -r flare_CH4_SandiaD_4D.tbl examples/dfLowMachFoam/2DSandiaD_flareFGM/
-        && git clone https://github.com/intelligent-algorithm-team/intelligent-combustion.git 
-        && cp -r intelligent-combustion/DeePCK/Model/HE04_Hydrogen_ESH2_GMS_sub_20221101/ mechanisms/ && source ~/miniconda3/etc/profile.d/conda.sh && conda activate libcantera && source /opt/openfoam7/etc/bashrc 
+        && 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 "
 

README.md

@@ -21,7 +21,7 @@
 
 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 – [Intelligent Combustion](https://github.com/intelligent-algorithm-team/intelligent-combustion.git). Please refer to their website for detailed information.
+The neural network models used in the tutorial examples can be found at– [AIS Square](https://www.aissquare.com/). To run DeepFlame with DNN, download the DNN model [dfODENet](https://www.aissquare.com/models/detail?pageType=models&name=dfODENet_DNNmodel_V0.1&id=181) into the case folder you would like to run.
 
 ## Documentation
 Detailed guide for installation and tutorials is available on [our documentation website](https://deepflame.deepmodeling.com).

docs/source/qs/download_dnn_models.rst

@@ -1,18 +1,6 @@
 Download DNN Models
 ======================================
-The neural network models used in the tutorial examples are indepentently trained
-by our collaborators team – `Intelligent Combustion <https://github.com/intelligent-algorithm-team/intelligent-combustion.git>`_. 
-To run DeepFlame with DNN, first download the DeepCombustion repository into ``deepflame-dev/``: 
-
-.. code-block:: bash
-
-    cd $DF_ROOT
-    git clone https://github.com/intelligent-algorithm-team/intelligent-combustion.git.git 
+The neural network models used in the tutorial examples can be found at– `AIS Square <https://www.aissquare.com/>`_. 
+To run DeepFlame with DNN, download the DNN model `dfODENet <https://www.aissquare.com/models/detail?pageType=models&name=dfODENet_DNNmodel_V0.1&id=181>`_ into the case folder you would like to run.
 
-Then copy the required DNN model into ``mechanisms/``, for example:
 
-.. code-block:: bash
-
-    cp -r intelligent-combustion/DeePCK/Model/HE04_Hydrogen_ESH2_GMS_sub_20221101/ mechanisms/
-
-.. Note:: Here ``HE04_Hydrogen_ESH2_GMS_sub_20221101`` is the default DNN model for all the tutorial cases in ``$DF_ROOT/examples/``.

docs/source/qs/install.rst

@@ -43,10 +43,9 @@ Alternatively, one can `compile OpenFOAM-7 from source code <https://openfoam.or
 
     conda create -n deepflame python=3.8
     conda activate deepflame
-    conda install -c cantera libcantera-devel
+    conda install -c cantera libcantera-devel=2.6 cantera
     pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118
-    conda install pybind11 
-    conda install -c conda-forge easydict
+    conda install pybind11 pkg-config
 
 .. Note:: Please go to PyTorch's official website to check your system compatability and choose the installation command line that is suitable for your platform. After installing torch, do check if torch.cuda.is_available() returns true to use GPU for DNN inference!
 

test/CMakeLists.txt

@@ -22,7 +22,7 @@ file(COPY ./dfLowMachFoam/twoD_reactingTGV/H2/cvodeSolver/postProcessing/sample/
 file(COPY ./dfLowMachFoam/twoD_reactingTGV/H2/cvodeSolver/postProcessing/sample/0.0001/data_T.xy DESTINATION 2DTGV/1)
 
 file(COPY ./dfLowMachFoam/2DSandiaD_flareFGM/postProcessing/sample/1.1/data_T.xy DESTINATION 2DSandia)
-
+file(COPY ./Tu500K-Phi1/fs DESTINATION flameSpeed)
 
 enable_testing()
 

test/Tu500K-Phi1/0/U

@@ -0,0 +1,40 @@
+/*--------------------------------*- 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       volVectorField;
+    location    "0";
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (5.36 0 0);
+
+boundaryField
+{
+    boundary
+    {
+        type            empty;
+    }
+    inlet
+    {
+        type            fixedValue;
+        value           uniform (5.36 0 0);
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

test/Tu500K-Phi1/0/Ydefault

@@ -0,0 +1,40 @@
+/*--------------------------------*- 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 0.0;
+
+boundaryField
+{
+    boundary
+    {
+        type            empty;
+    }
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 0.0;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

test/Tu500K-Phi1/0/p

@@ -0,0 +1,41 @@
+/*--------------------------------*- 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      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -2 0 0 0 0];
+
+internalField   uniform 101325;
+
+boundaryField
+{
+    boundary
+    {
+        type            empty;
+    }
+    inlet
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            waveTransmissive;
+        gamma           1.4;
+        value           uniform 101325;
+    }
+}
+
+
+// ************************************************************************* //

test/Tu500K-Phi1/Allclean

@@ -0,0 +1,11 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+echo "Cleaning log.*"
+rm log.*
+echo "Cleaning processor*"
+rm -r processor*
+echo "Cleaning polyMesh/"
+rm -r constant/polyMesh
+echo "Cleaning last result"
+rm 0.* -r

test/Tu500K-Phi1/Allrun

@@ -0,0 +1,16 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/RunFunctions
+
+application=dfLowMachFoam
+
+runApplication blockMesh
+runApplication decomposePar
+runApplication mpirun -np 4 --allow-run-as-root $application -parallel
+reconstructPar
+flameSpeed > log.fs
+sed -n 's/.*flameSpeed = \([0-9]*\(\.[0-9]*\)\?\).*/\1/p' log.fs > fs
+
+