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FiReSMOKE

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FiReSMOKE, a collection of finite-rate chemistry solvers for combustion simulations for OpenFOAM

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FiReSMOKE with SPARC and mPaSR model
========

Finite-rate combustion solvers (ED, ED/FR, EDC, QLFR, PaSR, mPaSR) for OpenFOAM based on the [OpenSMOKE++ framework][1].
Each branch of fireSMOKE requires one of the following OpenFOAM versions, respectively:
- OpenFOAM-12.x (main), OpenFOAM-10.x (of10), OpenFOAM-7.x (of7)

Docker installation provides a self-contained environment for OpenFOAM-12, OpenFOAM-10, OpenFOAM-7 with a pre-compiled version of FiReSMOKE.

If you use fireSMOKE for your publications, we kindly ask you to cite the following two papers:

> Parente, A., Malik, R.M., Contino, F., Cuoci, A., Dally, B., 
> Extension of the Eddy Dissipation Concept for turbulence/chemistry interactions to MILD combustion
> (2016) Fuel, 163, pp. 98-111, DOI: 10.1016/j.fuel.2015.09.020

> Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E., 
> OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms 
> (2015) Computer Physics Communications, 192, pp. 237-264, DOI: 10.1016/j.cpc.2015.02.014

If you use the SPARC plugin for your publications, we kindly ask you to cite the following two papers:

> D'Alessio, G., Parente, A., Stagni, A., Cuoci, A., 
> Adaptive chemistry via pre-partitioning of composition space and mechanism reduction. 
> (2020) Combustion and Flame, Volume 211, pp. 68-82. DOI: 10.1016/j.combustflame.2019.09.010.

> Amaduzzi, R., D'Alessio, G., Pagani, P., Cuoci, A., Malpica Galassi, R., Parente, A., 
> Automated adaptive chemistry for Large Eddy Simulations of turbulent reacting flows. 
> (2024) Combustion and Flame, Volume 259, pp. 113-136. DOI: 10.1016/j.combustflame.2023.113136.

If you use the mPaSR model for your publications, we kindly ask you to cite the following two papers:

> Quadarella, E., Péquin, A., Stagni, A., Parente, A., Faravelli, T., Im, H. G.,
> A generalized partially stirred reactor model for turbulent closure.
> (2023) Proceedings of the Combustion Institute, Volume 39, Issue 4, pp 5329-5338. DOI: 10.1016/j.proci.2022.08.061

> Péquin, A., Quadarella, E., Malpica Galassi, R., Iavarone, S., Im, H. G., Parente, A.,
> A modal decomposition-based partially stirred reactor (mPaSR) model for turbulent combustion closure: Implementation details and a posteriori validation.
> (2025) Combustion and Flame, Volume 279, 2025, 114269. DOI: 10.1016/j.combustflame.2025.114269.

![](https://github.com/apequin/FiReSMOKE_mPaSR/blob/main/runs/1_SandiaFlameD_RANS/flameD_ignition_mPaSR.gif)

Compulsory libraries
--------------------
- OpenSMOKE++ (already included in fireSMOKE)
- Eigen (http://eigen.tuxfamily.org/index.php?title=Main_Page)
- Boost C++ (http://www.boost.org/)
  
One the two:
- OpenBLAS (http://www.openmathlib.org/OpenBLAS/)
- Intel MKL (https://software.intel.com/en-us/intel-mkl)

Optional libraries
------------------
- ODEPACK (http://computation.llnl.gov/casc/odepack/odepack_home.html)
- DVODE (http://computation.llnl.gov/casc/odepack/odepack_home.html)
- DASPK (http://www.engineering.ucsb.edu/~cse/software.html)
- Sundials (http://computation.llnl.gov/casc/sundials/main.html)
- MEBDF (http://wwwf.imperial.ac.uk/~jcash/IVP_software/readme.html)
- RADAU (http://www.unige.ch/~hairer/software.html)
- Armadillo (for SPARC compilation, https://arma.sourceforge.net/)

Compilation
-----------
Three different options are available to compile the code, according to the level of support for the solution of ODE systems
1. Minimalist: no external, optional libraries are required. Only the native OpenSMOKE++ ODE solver can be used. Linear algebra operations are managed either by OpenBLAS or by the Intel MKL libraries
2. Minimalist + SPARC: SPARC plugin is added. Only the native OpenSMOKE++ ODE solver can be used. Linear algebra operations are managed either by OpenBLAS or by the Intel MKL libraries.
*Note that at the moment, compilation with MKL does not support the use of mPaSR and SPARC at the same time*.
4. Complete: all the optional libraries are linked to the code, in order to have the possibility to work with different ODE solvers

<a/>

-----------------------------------------------------
1. Instructions to compile the Minimalist version

- Open the `mybashrc` and adjust the paths to the compulsory external libraries (choose to employ either MKL or OpenBLAS by setting the flag `MKL_SUPPORT='-DOPENSMOKE_USE_MKL` to either 1 or 0).
  - Type: `source mybashrc`
  - Compile the unsteady solver: from the `solver/firePimpleSMOKE` folder type `wmake`

-----------------------------------------------------
2. Instructions to compile the Minimalist+SPARC version

- Open the `mybashrc` and adjust the paths to the compulsory external libraries (choose to employ either MKL or OpenBLAS by setting the flag `MKL_SUPPORT='-DOPENSMOKE_USE_MKL` to either 1 or 0) and set the SPARC compilation flag to 1: `SPARC_SUPPORT='-DSPARC=1` and adjust SPARC libraries paths.
  -  Type: `source mybashrc`
  - Compile the unsteady solver: from the `solver/firePimpleSMOKE` folder type `wmake`

-----------------------------------------------------
3. Instructions to compile the Complete version
  - Open the `mybashrc` and adjust the paths to the compulsory external libraries (choose to employ either MKL or OpenBLAS by setting the flag `MKL_SUPPORT='-DOPENSMOKE_USE_MKL` to either 1 or 0) and set the SPARC compilation flag to 1: `SPARC_SUPPORT='-DSPARC=1` and adjust SPARC libraries paths. You can choose the additional external libraries you want to add to fireSMOKE, by modifying the `EXTERNAL_ODE_SOLVERS` variable: in particular `1` means that the support is requested, while `0` means that no support is requested. Obviously, for each requested library, you need to provide the correct path.
  - Type: `source mybashrc`
  - Compile the unsteady solver: from the `solver/firePimpleSMOKE` folder type `wmake`

<a/>

## Docker Installation 
Only tested for MacOS.

1. Install Docker for your OS [Docker Installation](https://docs.docker.com/engine/install/)
2. OpenFOAM12/10/7 + FiReSMOKE is launched from the script `firesmoke-v12-macos`/`firesmoke-v10-macos`/`firesmoke-v7-macos` in this repository. The script needs to be located somewhere on the user’s `PATH` for convenient execution. The following commands will then install in the system-wide /usr/local/bin directory and make the script executable:
  
   `sudo curl --create-dirs -o /usr/local/bin/firesmoke-v12-macos firesmoke-v12-macos`
   
   `sudo chmod 755 /usr/local/bin/firesmoke-v12-macos`
   
   + if you do not have permissions to open the application: `xattr -d com.apple.quarantine /usr/local/bin/firesmoke-v12-macos`
   
4. The Docker container mounts the user’s file system so that case files are stored permanently. The container mounts the directory from where `firesmoke-v12-macos` is launched by default, but the user can also specify the directory using the “-d” option.  Mounting the user’s $HOME directory is disallowed.  Where a case-sensitive volume has been created, the container mount directory would typically coincide with the mount directory (or sub-directory) of the volume.  For example, for a case-sensitive volume mounted in the default location, `$HOME/openfoam`:
   
   `cd $HOME/openfoam`
   
   `firesmoke-v12-macos`

[1]: https://www.opensmokepp.polimi.it/

FiReSMOKE

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