deepmodeling · OpenFOAMFans · Oct 20, 2022 · Oct 20, 2022
diff --git a/applications/solvers/df0DFoam/Make/options b/applications/solvers/df0DFoam/Make/options
@@ -1,4 +1,12 @@
+-include $(GENERAL_RULES)/mplibType
+PYTHON_INC_DIR := $(shell python3 -m pybind11 --includes)
+PYTHON_LIB_DIR := $(shell 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)
+
 EXE_INC = -std=c++14 \
+    $(PFLAGS) $(PINC) \
     -I$(LIB_SRC)/transportModels/compressible/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
     -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
@@ -14,7 +22,8 @@ EXE_INC = -std=c++14 \
     $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include,) \
     $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,) \
     $(if $(BOOST_ARCH_PATH),-I$(BOOST_ARCH_PATH),) \
-    $(if $(BOOST_ARCH_PATH),-DBOOST_ARCH_PATH_FOUNDD,)
+    $(if $(BOOST_ARCH_PATH),-DBOOST_ARCH_PATH_FOUNDD,) \
+    $(PYTHON_INC_DIR)
 
 EXE_LIBS = \
     -lcompressibleTransportModels \
@@ -33,4 +42,6 @@ EXE_LIBS = \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libtorch.so,) \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libc10.so,) \
     $(if $(LIBTORCH_ROOT),-rdynamic,) \
-    $(if $(LIBTORCH_ROOT),-lpthread,)
+    $(if $(LIBTORCH_ROOT),-lpthread,) \
+    -L$(PYTHON_LIB_DIR) \
+    -lpython3.8
diff --git a/applications/solvers/df0DFoam/df0DFoam.C b/applications/solvers/df0DFoam/df0DFoam.C
@@ -28,6 +28,9 @@ Description
 #include "dfChemistryModel.H"
 #include "CanteraMixture.H"
 #include "hePsiThermo.H"
+#include <pybind11/embed.h>
+#include <pybind11/numpy.h>
+#include <pybind11/stl.h> //used to convert
 
 #include "fvCFD.H"
 #include "dynamicFvMesh.H"
@@ -44,9 +47,15 @@ Description
 
 int main(int argc, char *argv[])
 {
+    pybind11::scoped_interpreter guard{}; //start python interpreter
+
     #include "postProcess.H"
 
-    #include "setRootCaseLists.H"
+     // #include "setRootCaseLists.H"
+    #include "listOptions.H"
+    #include "setRootCase2.H"
+    #include "listOutput.H"
+
     #include "createTime.H"
     #include "createDynamicFvMesh.H"
     #include "createDyMControls.H"

diff --git a/applications/solvers/df0DFoam/setRootCase2.H b/applications/solvers/df0DFoam/setRootCase2.H
@@ -0,0 +1,5 @@
+Foam::argList args(argc,argv,true,true,/*initialise=*/false);
+if (!args.checkRootCase())
+{
+    Foam::FatalError.exit();
+}
diff --git a/applications/solvers/dfHighSpeedFoam/Make/options b/applications/solvers/dfHighSpeedFoam/Make/options
@@ -1,4 +1,9 @@
 -include $(GENERAL_RULES)/mplibType
+PYTHON_INC_DIR := $(shell python3 -m pybind11 --includes)
+PYTHON_LIB_DIR := $(shell 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)
 
 EXE_INC = -std=c++14 \
     $(PFLAGS) $(PINC) \
@@ -17,7 +22,8 @@ EXE_INC = -std=c++14 \
     -I$(DF_SRC)/dfChemistryModel/lnInclude \
     -I$(CANTERA_ROOT)/include \
     $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include,) \
-    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,)
+    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,) \
+    $(PYTHON_INC_DIR)
 
 EXE_LIBS = \
     -lfiniteVolume \
@@ -35,4 +41,6 @@ EXE_LIBS = \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libtorch.so,) \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libc10.so,) \
     $(if $(LIBTORCH_ROOT),-rdynamic,) \
-    $(if $(LIBTORCH_ROOT),-lpthread,)
+    $(if $(LIBTORCH_ROOT),-lpthread,) \
+    -L$(PYTHON_LIB_DIR) \
+    -lpython3.8
diff --git a/applications/solvers/dfHighSpeedFoam/dfHighSpeedFoam.C b/applications/solvers/dfHighSpeedFoam/dfHighSpeedFoam.C
@@ -33,6 +33,9 @@ Description
 #include "dfChemistryModel.H"
 #include "CanteraMixture.H"
 #include "hePsiThermo.H"
+#include <pybind11/embed.h>
+#include <pybind11/numpy.h>
+#include <pybind11/stl.h> //used to convert
 
 #include "fvCFD.H"
 #include "dynamicFvMesh.H"
@@ -51,7 +54,10 @@ int main(int argc, char *argv[])
     #define NO_CONTROL
     #include "postProcess.H"
 
-    #include "setRootCaseLists.H"
+    // #include "setRootCaseLists.H"
+    #include "listOptions.H"
+    #include "setRootCase2.H"
+    #include "listOutput.H"
     #include "createTime.H"
     #include "createDynamicFvMesh.H"
     #include "createFields.H"

diff --git a/applications/solvers/dfHighSpeedFoam/setRootCase2.H b/applications/solvers/dfHighSpeedFoam/setRootCase2.H
@@ -0,0 +1,5 @@
+Foam::argList args(argc,argv,true,true,/*initialise=*/false);
+if (!args.checkRootCase())
+{
+    Foam::FatalError.exit();
+}
diff --git a/applications/solvers/dfLowMachFoam/Make/options b/applications/solvers/dfLowMachFoam/Make/options
@@ -1,4 +1,9 @@
 -include $(GENERAL_RULES)/mplibType
+PYTHON_INC_DIR := $(shell python3 -m pybind11 --includes)
+PYTHON_LIB_DIR := $(shell 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)
 
 EXE_INC = -std=c++14 \
     $(PFLAGS) $(PINC) \
@@ -17,7 +22,8 @@ EXE_INC = -std=c++14 \
     -I$(DF_SRC)/dfCombustionModels/lnInclude \
     -I$(CANTERA_ROOT)/include \
     $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include,) \
-    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,)
+    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,) \
+    $(PYTHON_INC_DIR)
 
 EXE_LIBS = \
     -lcompressibleTransportModels \
@@ -35,4 +41,6 @@ EXE_LIBS = \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libtorch.so,) \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libc10.so,) \
     $(if $(LIBTORCH_ROOT),-rdynamic,) \
-    $(if $(LIBTORCH_ROOT),-lpthread,)
+    $(if $(LIBTORCH_ROOT),-lpthread,) \
+    -L$(PYTHON_LIB_DIR) \
+    -lpython3.8
diff --git a/applications/solvers/dfLowMachFoam/dfLowMachFoam.C b/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
@@ -36,6 +36,9 @@ Description
 #include "dfChemistryModel.H"
 #include "CanteraMixture.H"
 #include "hePsiThermo.H"
+#include <pybind11/embed.h>
+#include <pybind11/numpy.h>
+#include <pybind11/stl.h> //used to convert
 
 #include "fvCFD.H"
 #include "fluidThermo.H"
@@ -54,7 +57,11 @@ int main(int argc, char *argv[])
 {
     #include "postProcess.H"
 
-    #include "setRootCaseLists.H"
+    // #include "setRootCaseLists.H"
+    #include "listOptions.H"
+    #include "setRootCase2.H"
+    #include "listOutput.H"
+
     #include "createTime.H"
     #include "createMesh.H"
     #include "createDyMControls.H"

diff --git a/applications/solvers/dfLowMachFoam/setRootCase2.H b/applications/solvers/dfLowMachFoam/setRootCase2.H
@@ -0,0 +1,5 @@
+Foam::argList args(argc,argv,true,true,/*initialise=*/false);
+if (!args.checkRootCase())
+{
+    Foam::FatalError.exit();
+}
diff --git a/applications/solvers/dfSprayFoam/Make/options b/applications/solvers/dfSprayFoam/Make/options
@@ -1,3 +1,10 @@
+-include $(GENERAL_RULES)/mplibType
+PYTHON_INC_DIR := $(shell python3 -m pybind11 --includes)
+PYTHON_LIB_DIR := $(shell python3 -c "from distutils import sysconfig; \
+    import os.path as op; v = sysconfig.get_config_vars(); \
+    fpaths = [op.join(v[pv], v['LDLIBRARY']) for pv in ('LIBDIR', 'LIBPL')]; \
+    print(list(filter(op.exists, fpaths))[0])" | xargs dirname)
+
 EXE_INC = -std=c++14 \
     -I. \
     -I$(FOAM_APP)/solvers/lagrangian/reactingParcelFoam \
@@ -27,7 +34,8 @@ EXE_INC = -std=c++14 \
     -I$(DF_SRC)/dfCombustionModels/lnInclude \
     -I$(CANTERA_ROOT)/include \
     $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include,) \
-    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,)
+    $(if $(LIBTORCH_ROOT),-I$(LIBTORCH_ROOT)/include/torch/csrc/api/include,) \
+    $(PYTHON_INC_DIR)
 
 EXE_LIBS = \
     -lturbulenceModels \
@@ -55,4 +63,6 @@ EXE_LIBS = \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libtorch.so,) \
     $(if $(LIBTORCH_ROOT),$(LIBTORCH_ROOT)/lib/libc10.so,) \
     $(if $(LIBTORCH_ROOT),-rdynamic,) \
-    $(if $(LIBTORCH_ROOT),-lpthread,)
+    $(if $(LIBTORCH_ROOT),-lpthread,) \
+    -L$(PYTHON_LIB_DIR) \
+    -lpython3.8
diff --git a/applications/solvers/dfSprayFoam/dfSprayFoam.C b/applications/solvers/dfSprayFoam/dfSprayFoam.C
@@ -33,6 +33,9 @@ Description
 #include "CanteraMixture.H"
 #include "hePsiThermo.H"
 #include "turbulentFluidThermoModel.H"
+#include <pybind11/embed.h>
+#include <pybind11/numpy.h>
+#include <pybind11/stl.h> //used to convert
 
 #include "fvCFD.H"
 #include "dynamicFvMesh.H"
@@ -52,7 +55,11 @@ int main(int argc, char *argv[])
 {
     #include "postProcess.H"
 
-    #include "setRootCaseLists.H"
+    // #include "setRootCaseLists.H"
+    #include "listOptions.H"
+    #include "setRootCase2.H"
+    #include "listOutput.H"
+
     #include "createTime.H"
     #include "createDynamicFvMesh.H"
     #include "createDyMControls.H"

diff --git a/applications/solvers/dfSprayFoam/setRootCase2.H b/applications/solvers/dfSprayFoam/setRootCase2.H
@@ -0,0 +1,5 @@
+Foam::argList args(argc,argv,true,true,/*initialise=*/false);
+if (!args.checkRootCase())
+{
+    Foam::FatalError.exit();
+}
diff --git a/install.sh b/install.sh
@@ -1,9 +1,9 @@
 #!/bin/sh
 
-if [ -z "$CONDA_PREFIX" ]; then
-    echo "You should run this script only when the conda enviorment including libcantera-devel activated."
-    return
-fi
+# if [ -z "$CONDA_PREFIX" ]; then
+#     echo "You should run this script only when the conda enviorment including libcantera-devel activated."
+#     return
+# fi
 
 print_usage() {
     #printf "Usage: ...\n"
@@ -42,6 +42,17 @@ while test $# -gt 0; do
         --libtorch_no)
             shift
             ;;
+        --libcantera_dir)
+            shift
+            if test $# -gt 0; then
+                LIBCANTERA_DIR=$1
+                echo LIBCANTERA_DIR = $LIBCANTERA_DIR
+            else
+                print_usage
+            return
+            fi
+            shift
+            ;;            
         *)
             echo "$1 is not a recognized flag!"
             print_usage
@@ -73,8 +84,8 @@ fi
 
 cp bashrc.in bashrc
 sed -i s#pwd#$PWD#g ./bashrc
-echo "CONDA_PREFIX is set to $CONDA_PREFIX"
-sed -i s#CONDA_PREFIX#$CONDA_PREFIX#g ./bashrc
+#echo "LIBCANTERA_DIR is set to $CONDA_PREFIX"
+sed -i s#CONDA_PREFIX#$LIBCANTERA_DIR#g ./bashrc
 sed -i s#LIBTORCH_DIR#$LIBTORCH_DIR#g ./bashrc
 
 

diff --git a/src/dfChemistryModel/GpuInference/DynamicBuffer.C b/src/dfChemistryModel/GpuInference/DynamicBuffer.C
@@ -0,0 +1,28 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | DLBFoam: Dynamic Load Balancing 
+   \\    /   O peration     | for fast reactive simulations
+    \\  /    A nd           | 
+     \\/     M anipulation  | 2020, Aalto University, Finland
+-------------------------------------------------------------------------------
+License
+    This file is part of DLBFoam library, derived from OpenFOAM.
+
+    https://github.com/blttkgl/DLBFoam
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+#include "DynamicBuffer.H"
+namespace Foam{
+
+}
diff --git a/src/dfChemistryModel/GpuInference/DynamicBuffer.H b/src/dfChemistryModel/GpuInference/DynamicBuffer.H
@@ -0,0 +1,48 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | DLBFoam: Dynamic Load Balancing 
+   \\    /   O peration     | for fast reactive simulations
+    \\  /    A nd           | 
+     \\/     M anipulation  | 2020, Aalto University, Finland
+-------------------------------------------------------------------------------
+License
+    This file is part of DLBFoam library, derived from OpenFOAM.
+
+    https://github.com/blttkgl/DLBFoam
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::DynamicBuffer
+
+Description
+    Currently just a typedef to DynamicList<DynamicList>. Could possibly be made
+    constant size at some point to avoid allocations during runtime.
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef DynamicBuffer_H
+#define DynamicBuffer_H
+
+#include "DynamicList.H"
+
+namespace Foam
+{
+
+template <class T>
+using DynamicBuffer = DynamicList<DynamicList<T>>;
+
+}
+
+#endif
diff --git a/src/dfChemistryModel/GpuInference/GpuProblem.C b/src/dfChemistryModel/GpuInference/GpuProblem.C
@@ -0,0 +1,29 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2018 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "GpuProblem.H"
+namespace Foam{
+
+}