From caddbde635b9d481342bbe9b61a744f037877921 Mon Sep 17 00:00:00 2001
From: maorz1998 <maorz1998@stu.pku.edu.cn>
Date: Sun, 13 Nov 2022 14:56:05 +0800
Subject: [PATCH] modify install procedure & modify settings in
 CanteraTorchProperties

---
 .gitignore                                    |   1 +
 applications/solvers/df0DFoam/EEqn.H          |   4 +
 applications/solvers/df0DFoam/Make/options    |   1 +
 applications/solvers/df0DFoam/YEqn.H          |  15 +-
 applications/solvers/df0DFoam/createFields.H  |   4 +-
 applications/solvers/df0DFoam/df0DFoam.C      |  30 ++-
 .../solvers/dfLowMachFoam/createFields.H      |   3 +-
 .../solvers/dfLowMachFoam/dfLowMachFoam.C     |  22 ++-
 configure.sh                                  | 177 +++++++++++++++++
 .../constant/CanteraTorchProperties           |  27 +--
 .../H2/pytorchIntegrator/inference.py         |  14 +-
 .../H2/pytorchIntegrator/Allrun               |   2 +-
 .../pytorchIntegrator/system/decomposeParDict |   2 +-
 install.sh                                    | 182 +-----------------
 mechanisms/H2/pytorchDNN/settings1.json       |  85 --------
 mechanisms/H2/pytorchDNN/settings2.json       |  85 --------
 mechanisms/H2/pytorchDNN/settings3.json       |  85 --------
 src/dfChemistryModel/dfChemistryModel.C       |  92 +++++----
 src/dfChemistryModel/dfChemistryModel.H       |   2 +
 19 files changed, 306 insertions(+), 527 deletions(-)
 create mode 100644 configure.sh
 delete mode 100644 mechanisms/H2/pytorchDNN/settings1.json
 delete mode 100644 mechanisms/H2/pytorchDNN/settings2.json
 delete mode 100644 mechanisms/H2/pytorchDNN/settings3.json

diff --git a/.gitignore b/.gitignore
index c8affc1c..8cbd18ed 100644
--- a/.gitignore
+++ b/.gitignore
@@ -66,3 +66,4 @@ polyMesh/
 thirdParty
 libtorch*.zip*
 .DS_Store
+__pycache__/
diff --git a/applications/solvers/df0DFoam/EEqn.H b/applications/solvers/df0DFoam/EEqn.H
index faba8642..735aae8d 100644
--- a/applications/solvers/df0DFoam/EEqn.H
+++ b/applications/solvers/df0DFoam/EEqn.H
@@ -1,5 +1,9 @@
 {
     volScalarField& he = thermo.he();
     if (constProp == "volume") he[0] = u0 + p[0]/rho[0];
+    start = std::clock();
     chemistry.correctThermo();
+    end = std::clock();
+    time_monitor_corrThermo += double(end - start) / double(CLOCKS_PER_SEC);
+
 }
diff --git a/applications/solvers/df0DFoam/Make/options b/applications/solvers/df0DFoam/Make/options
index 9f2607c1..5c3df1b5 100644
--- a/applications/solvers/df0DFoam/Make/options
+++ b/applications/solvers/df0DFoam/Make/options
@@ -13,6 +13,7 @@ EXE_INC = -std=c++14 \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude \
     -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(LIB_SRC)/Pstream/mpi \
     -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
     -I$(DF_SRC)/CanteraMixture/lnInclude \
     -I$(DF_SRC)/dfChemistryModel/lnInclude \
diff --git a/applications/solvers/df0DFoam/YEqn.H b/applications/solvers/df0DFoam/YEqn.H
index f7c8f1de..2d8a2bd1 100644
--- a/applications/solvers/df0DFoam/YEqn.H
+++ b/applications/solvers/df0DFoam/YEqn.H
@@ -10,10 +10,20 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 );
 
 {
-    chemistry.solve(mesh.time().deltaTValue());
+    {
+        std::chrono::steady_clock::time_point start = std::chrono::steady_clock::now();
+        chemistry.solve(mesh.time().deltaTValue());
+        label flag_mpi_init;    
+        MPI_Initialized(&flag_mpi_init);
+        if(flag_mpi_init) MPI_Barrier(PstreamGlobals::MPI_COMM_FOAM);
+        std::chrono::steady_clock::time_point stop = std::chrono::steady_clock::now();
+        std::chrono::duration<double> processingTime = std::chrono::duration_cast<std::chrono::duration<double>>(stop - start);
+        time_monitor_chem += processingTime.count();
+    }
 
     volScalarField Yt(0.0*Y[0]);
 
+    start = std::clock();
     forAll(Y, i)
     {
         if (i != inertIndex)
@@ -43,4 +53,7 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 
     Y[inertIndex] = scalar(1) - Yt;
     Y[inertIndex].max(0.0);
+
+    end = std::clock();
+    time_monitor_Y += double(end - start) / double(CLOCKS_PER_SEC);
 }
\ No newline at end of file
diff --git a/applications/solvers/df0DFoam/createFields.H b/applications/solvers/df0DFoam/createFields.H
index fd529a3b..e5d35066 100644
--- a/applications/solvers/df0DFoam/createFields.H
+++ b/applications/solvers/df0DFoam/createFields.H
@@ -116,4 +116,6 @@ if
 }
 
 volScalarField& he = thermo.he();
-scalar u0 = he[0] - p[0]/rho[0];
\ No newline at end of file
+scalar u0 = he[0] - p[0]/rho[0];
+
+const Switch log_ = CanteraTorchProperties.subDict("TorchSettings").lookupOrDefault("log", false);
\ No newline at end of file
diff --git a/applications/solvers/df0DFoam/df0DFoam.C b/applications/solvers/df0DFoam/df0DFoam.C
index 3c2465e1..f5d79ef3 100644
--- a/applications/solvers/df0DFoam/df0DFoam.C
+++ b/applications/solvers/df0DFoam/df0DFoam.C
@@ -50,6 +50,7 @@ Description
 //#include "fvOptions.H"
 #include "localEulerDdtScheme.H"
 #include "fvcSmooth.H"
+#include "PstreamGlobals.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -73,6 +74,11 @@ int main(int argc, char *argv[])
     #include "createFields.H"
     #include "createFieldRefs.H"
     #include "createRhoUfIfPresent.H"
+    
+    double time_monitor_chem=0;
+    double time_monitor_Y=0;
+    double time_monitor_corrThermo=0;
+    clock_t start, end;
 
     turbulence->validate();
 
@@ -107,9 +113,29 @@ int main(int argc, char *argv[])
 
         runTime.write();
 
+        Info<< "========Time Spent in diffenet parts========"<< endl;
+        Info<< "Chemical sources           = " << time_monitor_chem << " s" << endl;
+        Info<< "Species Equations          = " << time_monitor_Y << " s" << endl;
+        Info<< "thermo & Trans Properties  = " << time_monitor_corrThermo << " s" << endl;
+        Info<< "============================================"<<nl<< endl;
+
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
-            << nl << endl;
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"<<endl;
+        #ifdef USE_PYTORCH
+        if (log_)
+        {
+            Info<< "    allsolveTime = " << chemistry.time_allsolve() << " s"
+            << "    submasterTime = " << chemistry.time_submaster() << " s" << nl
+            << "    sendProblemTime = " << chemistry.time_sendProblem() << " s"
+            << "    recvProblemTime = " << chemistry.time_RecvProblem() << " s"
+            << "    sendRecvSolutionTime = " << chemistry.time_sendRecvSolution() << " s" << nl
+            << "    getDNNinputsTime = " << chemistry.time_getDNNinputs() << " s"
+            << "    DNNinferenceTime = " << chemistry.time_DNNinference() << " s"
+            << "    updateSolutionBufferTime = " << chemistry.time_updateSolutionBuffer() << " s" << nl
+            << "    vec2ndarrayTime = " << chemistry.time_vec2ndarray() << " s"
+            << "    pythonTime = " << chemistry.time_python() << " s"<< nl << endl;
+        }
+        #endif
     }
 
     Info<< "End\n" << endl;
diff --git a/applications/solvers/dfLowMachFoam/createFields.H b/applications/solvers/dfLowMachFoam/createFields.H
index f5312aea..de256a18 100644
--- a/applications/solvers/dfLowMachFoam/createFields.H
+++ b/applications/solvers/dfLowMachFoam/createFields.H
@@ -144,4 +144,5 @@ IOdictionary CanteraTorchProperties
         IOobject::NO_WRITE
     )
 );
-const Switch splitting = CanteraTorchProperties.lookupOrDefault("splittingStrategy", false);
\ No newline at end of file
+const Switch splitting = CanteraTorchProperties.lookupOrDefault("splittingStrategy", false);
+const Switch log_ = CanteraTorchProperties.subDict("TorchSettings").lookupOrDefault("log", false);
\ No newline at end of file
diff --git a/applications/solvers/dfLowMachFoam/dfLowMachFoam.C b/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
index 342f5b1f..2b62d5d8 100644
--- a/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
+++ b/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
@@ -188,16 +188,20 @@ int main(int argc, char *argv[])
 
         runTime.write();
 
-        Info<< "MonitorTime_chem = " << time_monitor_chem << " s" << nl << endl;
-        Info<< "MonitorTime_Y = " << time_monitor_Y << " s" << nl << endl;
-        Info<< "MonitorTime_flow = " << time_monitor_flow << " s" << nl << endl;
-        Info<< "MonitorTime_E = " << time_monitor_E << " s" << nl << endl;
-        Info<< "MonitorTime_corrThermo = " << time_monitor_corrThermo << " s" << nl << endl;
+        Info<< "========Time Spent in diffenet parts========"<< endl;
+        Info<< "Chemical sources           = " << time_monitor_chem << " s" << endl;
+        Info<< "Species Equations          = " << time_monitor_Y << " s" << endl;
+        Info<< "U & p Equations            = " << time_monitor_flow << " s" << endl;
+        Info<< "Energy Equations           = " << time_monitor_E << " s" << endl;
+        Info<< "thermo & Trans Properties  = " << time_monitor_corrThermo << " s" << endl;
+        Info<< "============================================"<<nl<< endl;
 
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s" << endl
         #ifdef USE_PYTORCH
-            << "    allsolveTime = " << chemistry->time_allsolve() << " s"
+        if (log_)
+        {
+            Info<< "    allsolveTime = " << chemistry->time_allsolve() << " s"
             << "    submasterTime = " << chemistry->time_submaster() << " s" << nl
             << "    sendProblemTime = " << chemistry->time_sendProblem() << " s"
             << "    recvProblemTime = " << chemistry->time_RecvProblem() << " s"
@@ -206,9 +210,9 @@ int main(int argc, char *argv[])
             << "    DNNinferenceTime = " << chemistry->time_DNNinference() << " s"
             << "    updateSolutionBufferTime = " << chemistry->time_updateSolutionBuffer() << " s" << nl
             << "    vec2ndarrayTime = " << chemistry->time_vec2ndarray() << " s"
-            << "    pythonTime = " << chemistry->time_python() << " s"
+            << "    pythonTime = " << chemistry->time_python() << " s"<< nl << endl;
+        }
         #endif
-            << nl << endl;
     }
 
     Info<< "End\n" << endl;
diff --git a/configure.sh b/configure.sh
new file mode 100644
index 00000000..1cf9254a
--- /dev/null
+++ b/configure.sh
@@ -0,0 +1,177 @@
+#!/bin/sh
+
+
+unset USE_LIBTORCH
+unset USE_PYTORCH
+unset LIBTORCH_DIR
+unset LIBCANTERA_DIR
+unset PYTORCH_INC
+unset PYTORCH_LIB
+
+print_usage() {
+    echo "Usage: . install.sh --libtorch_no (default) | --libtorch_dir _path_to_libtorch | --libtorch_autodownload | --use_pytorch | --libcantera_dir _path_to_libcantera"
+}
+
+# default
+LIBTORCH_AUTO=false
+USE_LIBTORCH=false
+USE_PYTORCH=false
+
+while test $# -gt 0; do
+    case "$1" in
+        -h|--help)
+            print_usage
+            return
+            ;;
+        --libtorch_dir)
+            shift
+            if test $# -gt 0; then
+                LIBTORCH_DIR=$1
+                USE_LIBTORCH=true
+            else
+                print_usage
+            return
+            fi
+            shift
+            ;;
+        --libtorch_autodownload)
+            USE_LIBTORCH=true
+            LIBTORCH_AUTO=true
+            LIBTORCH_DIR="$PWD/thirdParty/libtorch"
+            shift
+            ;;
+        --libtorch_no)
+            shift
+            USE_LIBTORCH=false
+            shift
+            ;;
+        --use_pytorch)
+            shift
+            USE_PYTORCH=true
+            shift
+            ;;
+        --libcantera_dir)
+            shift
+            if test $# -gt 0; then
+                LIBCANTERA_DIR=$1
+            else
+                print_usage
+            return
+            fi
+            shift
+            ;;
+        -h|--help)
+            shift
+            print_usage
+            shift
+            ;;
+        *)
+            echo "$1 is not a recognized flag!"
+            print_usage
+            return
+            ;;
+    esac
+done
+
+
+
+# if LIBCANTERA_DIR empty and CONDA_PREFIX empty
+if [ -z "$LIBCANTERA_DIR" ] && [ -z "$CONDA_PREFIX" ]; then
+    echo "ERROR! either offer libcantera dir or ensure in the conda enviorment including libcantera-devel!"
+    return
+fi
+
+
+# if LIBCANTERA_DIR not empty and CONDA_PREFIX not empty
+# --libcantera_dir _path_to_libcantera has a higher priority than the path from conda enviornment
+if [ ! -z "$LIBCANTERA_DIR" ] && [ ! -z "$CONDA_PREFIX" ]; then
+    echo "duplicate libcantera dir from args and from conda!"
+    echo "from args: "$LIBCANTERA_DIR
+    echo "from args: "$CONDA_PREFIX
+    echo "we are going to use the dir from args: "$LIBCANTERA_DIR
+fi
+
+
+# if LIBCANTERA_DIR empty and CONDA_PREFIX not empty
+if [ -z "$LIBCANTERA_DIR" ] && [ ! -z "$CONDA_PREFIX" ]; then
+    LIBCANTERA_DIR=$CONDA_PREFIX
+fi
+
+
+# if LIBCANTERA_DIR not empty and CONDA_PREFIX empty
+# just use LIBCANTERA_DIR
+
+
+if [ $USE_LIBTORCH = true ] && [ $USE_PYTORCH = true ]; then
+    echo "ERROR! either use libtorch or pytorch!"
+    return
+fi
+
+
+if [ $LIBTORCH_AUTO = true ]; then
+    if [ -d "thirdParty/libtorch" ]; then
+        echo "libtorch already exist."
+    else
+        if [ -e libtorch-cxx11-abi-shared-with-deps-1.11.0+cpu.zip ]
+        then
+            echo "libtorch.zip exist."
+        else
+            wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-1.11.0%2Bcpu.zip
+        fi
+        unzip libtorch-cxx11-abi-shared-with-deps-1.11.0+cpu.zip -d thirdParty
+    fi
+fi
+
+
+if [ $USE_PYTORCH = true ]; then
+    PYTORCH_INC=`python3 -m pybind11 --includes`
+    if [ -z "$PYTORCH_INC" ]; then
+        return
+    fi
+    PYTORCH_LIB=`python3 -c "from distutils import sysconfig; \
+    import os.path as op; v = sysconfig.get_config_vars(); \
+    fpaths = [op.join(v[pv], v['LDLIBRARY']) for pv in ('LIBDIR', 'LIBPL')]; \
+    print(list(filter(op.exists, fpaths))[0])" | xargs dirname`
+fi
+
+
+
+echo "setup for deepflame bashrc:"
+echo LIBCANTERA_DIR=$LIBCANTERA_DIR
+if [ $USE_LIBTORCH = true ]; then
+    echo LIBTORCH_DIR=$LIBTORCH_DIR
+    echo PYTORCH_INC=""
+    echo PYTORCH_LIB=""
+fi
+if [ $USE_PYTORCH = true ]; then
+    echo PYTORCH_INC=$PYTORCH_INC
+    echo PYTORCH_LIB=$PYTORCH_LIB
+    echo LIBTORCH_DIR=""
+fi
+
+cp bashrc.in bashrc
+sed -i "s#pwd#$PWD#g" ./bashrc
+sed -i "s#LIBTORCH_DIR#$LIBTORCH_DIR#g" ./bashrc
+sed -i "s#PYTORCH_INC#$PYTORCH_INC#g" ./bashrc
+sed -i "s#PYTORCH_LIB#$PYTORCH_LIB#g" ./bashrc
+sed -i "s#LIBCANTERA_DIR#$LIBCANTERA_DIR#g" ./bashrc
+
+
+
+
+if [ -d "src_orig" ]; then
+    echo "src_orig exist."
+else
+    mkdir -p src_orig/TurbulenceModels
+    mkdir -p src_orig/thermophysicalModels
+    mkdir -p src_orig/lagrangian
+    mkdir -p src_orig/regionModels
+    mkdir -p src_orig/functionObjects
+    cp -r $FOAM_SRC/TurbulenceModels/compressible src_orig/TurbulenceModels
+    cp -r $FOAM_SRC/thermophysicalModels/basic src_orig/thermophysicalModels
+    cp -r $FOAM_SRC/thermophysicalModels/thermophysicalProperties src_orig/thermophysicalModels
+    cp -r $FOAM_SRC/lagrangian/intermediate src_orig/lagrangian
+    cp -r $FOAM_SRC/lagrangian/turbulence src_orig/lagrangian
+    cp -r $FOAM_SRC/regionModels/surfaceFilmModels src_orig/regionModels
+    cp -r $FOAM_SRC/functionObjects/field src_orig/functionObjects
+fi
\ No newline at end of file
diff --git a/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties b/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
index 28be4c60..b7f3f952 100644
--- a/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
+++ b/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/constant/CanteraTorchProperties
@@ -25,34 +25,21 @@ odeCoeffs
     "absTol"   1e-24;
 }
 inertSpecie        "N2";
-
 zeroDReactor
 {
     constantProperty "pressure";//cvorcp "UV";
 }
 
-torch on;
-GPU on;
-torchModel1 "ESH2-sub1.pt"; 
-torchModel2 "ESH2-sub2.pt"; 
-torchModel3 "ESH2-sub3.pt"; 
-
-torchParameters1  
+TorchSettings
 {
-    Tact 700  ;
-    Qdotact  3e7;
+    torch off;
+    GPU   off;
+    log  on;
+    torchModel1 "ESH2-sub1.pt"; 
+    torchModel2 "ESH2-sub2.pt"; 
+    torchModel3 "ESH2-sub3.pt"; 
     coresPerGPU 4;
 }
-torchParameters2
-{
-    Tact 2000;
-    Qdotact  3e7;
-}
-torchParameters3
-{
-    Tact 2000;
-    Qdotact  7e8;
-}
 loadbalancing
 {
         active  false;
diff --git a/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/inference.py b/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/inference.py
index 9238a55f..6b0e5780 100644
--- a/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/inference.py
+++ b/examples/df0DFoam/zeroD_cubicReactor/H2/pytorchIntegrator/inference.py
@@ -11,7 +11,6 @@
 import os
 
 torch.set_printoptions(precision=10)
-print('position 0 in inference.py')
 
 
 class MyGELU(torch.nn.Module):
@@ -67,13 +66,14 @@ def forward(self, x):
         b = data.index('.',a+1)
         moduleName3 = data[a+1:b]
         
-        i = data.index('GPU') 
-        a = data.index(';',i) 
-        switch_GPU = data[i+4:a]
+        i = data.index('GPU')
+        a = data.index(';', i)
+        b = data.rfind(' ',i+1,a)
+        switch_GPU = data[b+1:a]
 
     #load OpenFOAM switch
-    switch_on = ["True", "on", "yes", "y", "t", "any"]
-    switch_off = ["False", "off", "no", "n", "f", "none"]
+    switch_on = ["true", "True", "on", "yes", "y", "t", "any"]
+    switch_off = ["false", "False", "off", "no", "n", "f", "none"]
     if switch_GPU in switch_on:
         device = torch.device("cuda")
         device_ids = range(torch.cuda.device_count())
@@ -111,7 +111,6 @@ def forward(self, x):
     Xstd2 = torch.tensor(setting2.Xstd).unsqueeze(0).to(device=device)
     Ymu2 = torch.tensor(setting2.Ymu).unsqueeze(0).to(device=device)
     Ystd2 = torch.tensor(setting2.Ystd).unsqueeze(0).to(device=device)
-    print('position 1 in inference.py')
 
     #load module  
     model0 = Net()
@@ -130,7 +129,6 @@ def forward(self, x):
         model0 = torch.nn.DataParallel(model0, device_ids=device_ids)
         model1 = torch.nn.DataParallel(model1, device_ids=device_ids)
         model2 = torch.nn.DataParallel(model2, device_ids=device_ids)
-    print('call init')
 except Exception as e:
     print(e.args)
 
diff --git a/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/Allrun b/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/Allrun
index 61289906..235aa392 100755
--- a/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/Allrun
+++ b/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/Allrun
@@ -8,4 +8,4 @@ application=dfLowMachFoam
 
 runApplication blockMesh
 runApplication decomposePar
-runApplication mpirun -np 16 $application -parallel
+runApplication mpirun -np 4 $application -parallel
diff --git a/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/system/decomposeParDict b/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/system/decomposeParDict
index f0335ac0..45c7f859 100644
--- a/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/system/decomposeParDict
+++ b/examples/dfLowMachFoam/oneD_freelyPropagation/H2/pytorchIntegrator/system/decomposeParDict
@@ -15,7 +15,7 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-numberOfSubdomains 16;
+numberOfSubdomains 4;
 
 method          scotch;
 
diff --git a/install.sh b/install.sh
index f7d0fc78..653bb757 100755
--- a/install.sh
+++ b/install.sh
@@ -1,183 +1,10 @@
 #!/bin/sh
 
-unset USE_LIBTORCH
-unset USE_PYTORCH
-unset LIBTORCH_DIR
-unset LIBCANTERA_DIR
-unset PYTORCH_INC
-unset PYTORCH_LIB
-
-print_usage() {
-    echo "Usage: . install.sh --libtorch_no (default) | --libtorch_dir _path_to_libtorch | --libtorch_autodownload | --use_pytorch | --libcantera_dir _path_to_libcantera"
-}
-
-# default
-LIBTORCH_AUTO=false
-USE_LIBTORCH=false
-USE_PYTORCH=false
-
-while test $# -gt 0; do
-    case "$1" in
-        -h|--help)
-            print_usage
-            return
-            ;;
-        --libtorch_dir)
-            shift
-            if test $# -gt 0; then
-                LIBTORCH_DIR=$1
-                USE_LIBTORCH=true
-            else
-                print_usage
-            return
-            fi
-            shift
-            ;;
-        --libtorch_autodownload)
-            USE_LIBTORCH=true
-            LIBTORCH_AUTO=true
-            LIBTORCH_DIR="$PWD/thirdParty/libtorch"
-            shift
-            ;;
-        --libtorch_no)
-            shift
-            USE_LIBTORCH=false
-            shift
-            ;;
-        --use_pytorch)
-            shift
-            USE_PYTORCH=true
-            shift
-            ;;
-        --libcantera_dir)
-            shift
-            if test $# -gt 0; then
-                LIBCANTERA_DIR=$1
-            else
-                print_usage
-            return
-            fi
-            shift
-            ;;
-        -h|--help)
-            shift
-            print_usage
-            shift
-            ;;
-        *)
-            echo "$1 is not a recognized flag!"
-            print_usage
-            return
-            ;;
-    esac
-done
-
-
-
-# if LIBCANTERA_DIR empty and CONDA_PREFIX empty
-if [ -z "$LIBCANTERA_DIR" ] && [ -z "$CONDA_PREFIX" ]; then
-    echo "ERROR! either offer libcantera dir or ensure in the conda enviorment including libcantera-devel!"
-    return
-fi
-
-
-# if LIBCANTERA_DIR not empty and CONDA_PREFIX not empty
-# --libcantera_dir _path_to_libcantera has a higher priority than the path from conda enviornment
-if [ ! -z "$LIBCANTERA_DIR" ] && [ ! -z "$CONDA_PREFIX" ]; then
-    echo "duplicate libcantera dir from args and from conda!"
-    echo "from args: "$LIBCANTERA_DIR
-    echo "from args: "$CONDA_PREFIX
-    echo "we are going to use the dir from args: "$LIBCANTERA_DIR
-fi
-
-
-# if LIBCANTERA_DIR empty and CONDA_PREFIX not empty
-if [ -z "$LIBCANTERA_DIR" ] && [ ! -z "$CONDA_PREFIX" ]; then
-    LIBCANTERA_DIR=$CONDA_PREFIX
-fi
-
-
-# if LIBCANTERA_DIR not empty and CONDA_PREFIX empty
-# just use LIBCANTERA_DIR
-
-
-if [ $USE_LIBTORCH = true ] && [ $USE_PYTORCH = true ]; then
-    echo "ERROR! either use libtorch or pytorch!"
-    return
-fi
-
-
-if [ $LIBTORCH_AUTO = true ]; then
-    if [ -d "thirdParty/libtorch" ]; then
-        echo "libtorch already exist."
-    else
-        if [ -e libtorch-cxx11-abi-shared-with-deps-1.11.0+cpu.zip ]
-        then
-            echo "libtorch.zip exist."
-        else
-            wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-1.11.0%2Bcpu.zip
-        fi
-        unzip libtorch-cxx11-abi-shared-with-deps-1.11.0+cpu.zip -d thirdParty
-    fi
-fi
-
-
-if [ $USE_PYTORCH = true ]; then
-    PYTORCH_INC=`python3 -m pybind11 --includes`
-    if [ -z "$PYTORCH_INC" ]; then
-        return
-    fi
-    PYTORCH_LIB=`python3 -c "from distutils import sysconfig; \
-    import os.path as op; v = sysconfig.get_config_vars(); \
-    fpaths = [op.join(v[pv], v['LDLIBRARY']) for pv in ('LIBDIR', 'LIBPL')]; \
-    print(list(filter(op.exists, fpaths))[0])" | xargs dirname`
-fi
-
-
-
-echo "setup for deepflame bashrc:"
-echo LIBCANTERA_DIR=$LIBCANTERA_DIR
-if [ $USE_LIBTORCH = true ]; then
-    echo LIBTORCH_DIR=$LIBTORCH_DIR
-    echo PYTORCH_INC=""
-    echo PYTORCH_LIB=""
-fi
-if [ $USE_PYTORCH = true ]; then
-    echo PYTORCH_INC=$PYTORCH_INC
-    echo PYTORCH_LIB=$PYTORCH_LIB
-    echo LIBTORCH_DIR=""
-fi
-
-cp bashrc.in bashrc
-sed -i "s#pwd#$PWD#g" ./bashrc
-sed -i "s#LIBTORCH_DIR#$LIBTORCH_DIR#g" ./bashrc
-sed -i "s#PYTORCH_INC#$PYTORCH_INC#g" ./bashrc
-sed -i "s#PYTORCH_LIB#$PYTORCH_LIB#g" ./bashrc
-sed -i "s#LIBCANTERA_DIR#$LIBCANTERA_DIR#g" ./bashrc
-
-
-
-
-if [ -d "src_orig" ]; then
-    echo "src_orig exist."
-else
-    mkdir -p src_orig/TurbulenceModels
-    mkdir -p src_orig/thermophysicalModels
-    mkdir -p src_orig/lagrangian
-    mkdir -p src_orig/regionModels
-    mkdir -p src_orig/functionObjects
-    cp -r $FOAM_SRC/TurbulenceModels/compressible src_orig/TurbulenceModels
-    cp -r $FOAM_SRC/thermophysicalModels/basic src_orig/thermophysicalModels
-    cp -r $FOAM_SRC/thermophysicalModels/thermophysicalProperties src_orig/thermophysicalModels
-    cp -r $FOAM_SRC/lagrangian/intermediate src_orig/lagrangian
-    cp -r $FOAM_SRC/lagrangian/turbulence src_orig/lagrangian
-    cp -r $FOAM_SRC/regionModels/surfaceFilmModels src_orig/regionModels
-    cp -r $FOAM_SRC/functionObjects/field src_orig/functionObjects
-fi
-
 print_finish() {
     if [ $USE_LIBTORCH = true ]; then
-        echo "deepflame (linked with libcantera and libtorch) compiled successfully! Enjoy!"
+        echo " = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = ="
+        echo "| deepflame (linked with libcantera and libtorch) compiled successfully! Enjoy!! |"
+        echo " = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = ="
         return
     fi
     if [ $USE_PYTORCH = true ]; then
@@ -191,7 +18,4 @@ print_finish() {
     echo " = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = ="
 }
 
-
-source ./bashrc
-
 ./Allwmake -j && print_finish
diff --git a/mechanisms/H2/pytorchDNN/settings1.json b/mechanisms/H2/pytorchDNN/settings1.json
deleted file mode 100644
index feaf5111..00000000
--- a/mechanisms/H2/pytorchDNN/settings1.json
+++ /dev/null
@@ -1,85 +0,0 @@
-{
-    "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,
-        30141.97503208172,
-        24712.755148584696,
-        -372.9651472886253,
-        -493.34322699725413,
-        -4.31138850114707e-12
-    ],
-    "Ystd":[
-        115735.41509559377,
-        1.1513875522375139e-10,
-        8901.112679962635,
-        27135.624769093312,
-        30141.97503208172,
-        24712.755148584696,
-        372.96514728862553,
-        493.3432269972544,
-        9.409165181242247e-11
-    ]
-}
\ No newline at end of file
diff --git a/mechanisms/H2/pytorchDNN/settings2.json b/mechanisms/H2/pytorchDNN/settings2.json
deleted file mode 100644
index bc78b10b..00000000
--- a/mechanisms/H2/pytorchDNN/settings2.json
+++ /dev/null
@@ -1,85 +0,0 @@
-{
-    "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,
-        -5.705591538151852,
-        -6.446971251373195,
-        -4.169802387800032,
-        -6.1200334699867165,
-        -4.266343396329115,
-        -2.6007437468608616,
-        -0.4049762774428252
-    ],
-    "Xstd":[
-        716.6568054751183,
-        0.43268544913281914,
-        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
-    ],
-    "Ystd":[
-        6396799.801910002,
-        1.3523423408265769e-10,
-        179830.51132577812,
-        256152.83860126554,
-        285811.9455262339,
-        263600.5448448552,
-        98110.53711881173,
-        11752.979335965118,
-        4.0735353885293555e-09
-    ]
-}
\ No newline at end of file
diff --git a/mechanisms/H2/pytorchDNN/settings3.json b/mechanisms/H2/pytorchDNN/settings3.json
deleted file mode 100644
index 1ed66ee9..00000000
--- a/mechanisms/H2/pytorchDNN/settings3.json
+++ /dev/null
@@ -1,85 +0,0 @@
-{
-    "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":[
-        2717.141719004927,
-        1.2871371577864235,
-        -5.240181052513087,
-        -4.8947914078286345,
-        -3.117070179161789,
-        -4.346362771443917,
-        -4.657258124450032,
-        -4.537442872141596,
-        -0.11656950757756744
-    ],
-    "Xstd":[
-        141.48030419772115,
-        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,
-        519.5930550881994,
-        -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
-    ]
-}
\ No newline at end of file
diff --git a/src/dfChemistryModel/dfChemistryModel.C b/src/dfChemistryModel/dfChemistryModel.C
index c93e53fe..5f171a02 100644
--- a/src/dfChemistryModel/dfChemistryModel.C
+++ b/src/dfChemistryModel/dfChemistryModel.C
@@ -118,27 +118,18 @@ Foam::dfChemistryModel<ThermoType>::dfChemistryModel
         useDNN = false;
     }
 
-    torchSwitch_ = this->lookupOrDefault("torch", false);
-    gpu_ = this->lookupOrDefault("GPU", false),
+    torchSwitch_ = this->subDict("TorchSettings").lookupOrDefault("torch", false);
+    gpu_ = this->subDict("TorchSettings").lookupOrDefault("GPU", false),
+    gpulog_ = this->subDict("TorchSettings").lookupOrDefault("log", false),
 
     torchModelName_ = this->lookupOrDefault("torchModel", word(""));
-    torchModelName1_ = this->lookupOrDefault("torchModel1", word(""));
-    torchModelName2_ = this->lookupOrDefault("torchModel2", word(""));
-    torchModelName3_ = this->lookupOrDefault("torchModel3", word(""));
-
-    // thresholds adopted for selecting the networks
-    Tact1_ = this->subDict("torchParameters1").lookupOrDefault("Tact", 700);
-    Qdotact1_ = this->subDict("torchParameters1").lookupOrDefault("Qdotact", 1e9);
-
-    Tact2_ = this->subDict("torchParameters2").lookupOrDefault("Tact", 700);
-    Qdotact2_ = this->subDict("torchParameters2").lookupOrDefault("Qdotact", 1e9);
-
-    Tact3_ = this->subDict("torchParameters3").lookupOrDefault("Tact", 700);
-    Qdotact3_ = this->subDict("torchParameters3").lookupOrDefault("Qdotact", 1e9);
+    torchModelName1_ = this->subDict("TorchSettings").lookupOrDefault("torchModel1", word(""));
+    torchModelName2_ = this->subDict("TorchSettings").lookupOrDefault("torchModel2", word(""));
+    torchModelName3_ = this->subDict("TorchSettings").lookupOrDefault("torchModel3", word(""));
 
     // set the number of cores slaved by each GPU card
-    coresPerGPU = this->subDict("torchParameters1").lookupOrDefault("coresPerGPU", 8);
-    GPUsPerNode = this->subDict("torchParameters1").lookupOrDefault("GPUsPerNode", 4);
+    coresPerGPU = this->subDict("TorchSettings").lookupOrDefault("coresPerGPU", 8);
+    GPUsPerNode = this->subDict("TorchSettings").lookupOrDefault("GPUsPerNode", 4);
 
     // initialization the Inferencer (if use multi GPU)
     if(torchSwitch_)
@@ -174,20 +165,11 @@ Foam::dfChemistryModel<ThermoType>::dfChemistryModel
     {
         useDNN = false;
     }
-    gpu_ = this->lookupOrDefault("GPU", false),
-
-    torchSwitch_ = this->lookupOrDefault("torch", false);
+    gpu_ = this->subDict("TorchSettings").lookupOrDefault("GPU", false),
+    torchSwitch_ = this->subDict("TorchSettings").lookupOrDefault("torch", false);
+    gpulog_ = this->subDict("TorchSettings").lookupOrDefault("log", false),
 
-    Tact1_ = this->subDict("torchParameters1").lookupOrDefault("Tact", 700);
-    Qdotact1_ = this->subDict("torchParameters1").lookupOrDefault("Qdotact", 1e9);
-
-    Tact2_ = this->subDict("torchParameters2").lookupOrDefault("Tact", 700);
-    Qdotact2_ = this->subDict("torchParameters2").lookupOrDefault("Qdotact", 1e9);
-
-    Tact3_ = this->subDict("torchParameters3").lookupOrDefault("Tact", 700);
-    Qdotact3_ = this->subDict("torchParameters3").lookupOrDefault("Qdotact", 1e9);
-
-    coresPerGPU = this->subDict("torchParameters1").lookupOrDefault("coresPerGPU", 8);
+    coresPerGPU = this->subDict("TorchSettings").lookupOrDefault("coresPerGPU", 8);
 
     time_allsolve_ = 0;
     time_submaster_ = 0;
@@ -401,8 +383,8 @@ Foam::dfChemistryModel<ThermoType>::getGPUProblems
         scalar pi = p_[cellI];
         scalar rhoi = rho_[cellI];
 
-        // if T < 1000, set RR=0
-        if (T_[cellI] < Tact1_)
+        // if T < 700, set RR=0
+        if (T_[cellI] < 700)
         {
             Qdot_[cellI] = 0;
             for (size_t i = 0; i < CanteraGas_->nSpecies(); i++)
@@ -424,21 +406,21 @@ Foam::dfChemistryModel<ThermoType>::getGPUProblems
         problem.rhoi = rhoi;
 
         // choose DNN module
-        if ((Qdot_[cellI] < Qdotact2_) && (T_[cellI] < Tact2_) && ( T_[cellI] >= Tact1_))//choose1
+        if ((Qdot_[cellI] < 3e7) && (T_[cellI] < 2000) && ( T_[cellI] >= 700))//choose1
         {
             problem.DNNid = 0; 
             problemList.append(problem);
             selectDNN_[cellI]=0;
             continue;
         }
-        if(((Qdot_[cellI] >= Qdotact2_) && (T_[cellI] < Tact2_)&&(T_[cellI] >= Tact1_))||((Qdot_[cellI] > Qdotact3_) && T_[cellI] > Tact2_))  //choose2
+        if(((Qdot_[cellI] >= 3e7) && (T_[cellI] < 2000)&&(T_[cellI] >= 700))||((Qdot_[cellI] > 7e8) && T_[cellI] > 2000))  //choose2
         {
             problem.DNNid = 1; 
             problemList.append(problem);
             selectDNN_[cellI]=1;
             continue;
         }
-        if  ((Qdot_[cellI] < Qdotact3_) && (T_[cellI] >= Tact2_) && (Qdot_[cellI]!=0)) //choose3
+        if  ((Qdot_[cellI] < 7e8) && (T_[cellI] >= 2000) && (Qdot_[cellI]!=0)) //choose3
         {
             problem.DNNid = 2; 
             problemList.append(problem);
@@ -555,9 +537,12 @@ void Foam::dfChemistryModel<ThermoType>::getDNNinputs
     cellIDBuffer = {cellIDList0Buffer, cellIDList1Buffer, cellIDList2Buffer};
     problemCounter = {problemCounter0, problemCounter1, problemCounter2};
 
-    std::cout<<"inputsDNN0 = "<<inputsDNN0.size()/10 << "\n";
-    std::cout<<"inputsDNN1 = "<<inputsDNN1.size()/10 << "\n";
-    std::cout<<"inputsDNN2 = "<<inputsDNN2.size()/10 << "\n";
+    if (gpulog_)
+    {
+        std::cout<<"inputsDNN0 = "<<inputsDNN0.size()/10 << "\n";
+        std::cout<<"inputsDNN1 = "<<inputsDNN1.size()/10 << "\n";
+        std::cout<<"inputsDNN2 = "<<inputsDNN2.size()/10 << "\n";
+    }
 
     return;
 }
@@ -680,7 +665,10 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::solve_DNN(
             recv >> problemBuffer[i];  //recv previous send problem and append to problemList
             problemSize += problemBuffer[i].size();
         }
-        Info << "problemSize = " << problemSize << endl;
+        if (gpulog_)
+        {
+            Info << "problemSize = " << problemSize << endl;
+        }
 
         std::chrono::steady_clock::time_point stop3 = std::chrono::steady_clock::now();
         std::chrono::duration<double> processingTime3 = std::chrono::duration_cast<std::chrono::duration<double>>(stop3 - start3);
@@ -1135,7 +1123,7 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::solve_CVODE
 
     if(balancer_.active())
     {
-        Info<<"Now use DLB algorithm!!"<<endl;
+        Info<<"Now DLB algorithm is used!!"<<endl;
         timer.timeIncrement();
         balancer_.updateState(allProblems);
         t_updateState = timer.timeIncrement();
@@ -1157,7 +1145,7 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::solve_CVODE
     }
     else
     {
-        Info<<"Now do not use DLB algorithm!!"<<endl;
+        Info<<"Now DLB algorithm is not used!!"<<endl;
         timer.timeIncrement();
         incomingSolutions.append(solveList(allProblems));
         t_solveBuffer = timer.timeIncrement();
@@ -1345,7 +1333,7 @@ Foam::dfChemistryModel<ThermoType>::getGPUProblems
         scalar rhoi = rho_[cellI];
 
         // if T < 1000, set RR=0
-        if (T_[cellI] < Tact1_)
+        if (T_[cellI] < 700)
         {
             Qdot_[cellI] = 0;
             for (size_t i = 0; i < CanteraGas_->nSpecies(); i++)
@@ -1367,19 +1355,19 @@ Foam::dfChemistryModel<ThermoType>::getGPUProblems
         problem.rhoi = rhoi;
 
         // choose DNN module
-        if ((Qdot_[cellI] < Qdotact2_) && (T_[cellI] < Tact2_) && ( T_[cellI] >= Tact1_))//choose1
+        if ((Qdot_[cellI] < 3e7) && (T_[cellI] < 2000) && ( T_[cellI] >= 700))//choose1
         {
             problem.DNNid = 0; 
             problemList.append(problem);
             continue;
         }
-        if(((Qdot_[cellI] >= Qdotact2_) && (T_[cellI] < Tact2_)&&(T_[cellI] >= Tact1_))||((Qdot_[cellI] > Qdotact3_) && T_[cellI] > Tact2_))  //choose2
+        if(((Qdot_[cellI] >= 3e7) && (T_[cellI] < 2000)&&(T_[cellI] >= 700))||((Qdot_[cellI] > 7e8) && T_[cellI] > 2000))  //choose2
         {
             problem.DNNid = 1; 
             problemList.append(problem);
             continue;
         }
-        if  ((Qdot_[cellI] < Qdotact3_) && (T_[cellI] >= Tact2_) && (Qdot_[cellI]!=0)) //choose3
+        if  ((Qdot_[cellI] < 7e8) && (T_[cellI] >= 2000) && (Qdot_[cellI]!=0)) //choose3
         {
             problem.DNNid = 2; 
             problemList.append(problem);
@@ -1487,9 +1475,12 @@ void Foam::dfChemistryModel<ThermoType>::getDNNinputs
     cellIDBuffer = {cellIDList0Buffer, cellIDList1Buffer, cellIDList2Buffer};
     problemCounter = {problemCounter0, problemCounter1, problemCounter2};
 
-    std::cout<<"inputsDNN0 = "<<inputsDNN0.size()/10 << "\n";
-    std::cout<<"inputsDNN1 = "<<inputsDNN1.size()/10 << "\n";
-    std::cout<<"inputsDNN2 = "<<inputsDNN2.size()/10 << "\n";
+    if (gpulog_)
+    {
+        std::cout<<"inputsDNN0 = "<<inputsDNN0.size()/10 << "\n";
+        std::cout<<"inputsDNN1 = "<<inputsDNN1.size()/10 << "\n";
+        std::cout<<"inputsDNN2 = "<<inputsDNN2.size()/10 << "\n";
+    }
 
     return;
 }
@@ -1617,7 +1608,10 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::solve_DNN(
             recv >> problemBuffer[i];  //recv previous send problem and append to problemList
             problemSize += problemBuffer[i].size();
         }
-        Info << "problemSize = " << problemSize << endl;
+        if (gpulog_)
+        {
+            Info << "problemSize = " << problemSize << endl;
+        }
 
         std::chrono::steady_clock::time_point stop3 = std::chrono::steady_clock::now();
         std::chrono::duration<double> processingTime3 = std::chrono::duration_cast<std::chrono::duration<double>>(stop3 - start3);
diff --git a/src/dfChemistryModel/dfChemistryModel.H b/src/dfChemistryModel/dfChemistryModel.H
index 3e931f08..d0ed9ae7 100644
--- a/src/dfChemistryModel/dfChemistryModel.H
+++ b/src/dfChemistryModel/dfChemistryModel.H
@@ -133,6 +133,7 @@ public IOdictionary
 
     Switch torchSwitch_;
     Switch gpu_;
+    Switch gpulog_;
     DNNInferencer DNNInferencer_;
     int coresPerGPU;
     int GPUsPerNode;
@@ -173,6 +174,7 @@ public IOdictionary
 
     Switch torchSwitch_;
     Switch gpu_;
+    Switch gpulog_;
     scalar Tact1_;
     scalar Qdotact1_;
     scalar Tact2_;