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FDS Source: Issue #13717. Fix divergence error when obst removed/created
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mcgratta committed Nov 8, 2024
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19 changes: 9 additions & 10 deletions Manuals/FDS_Verification_Guide/FDS_Verification_Guide.tex
Original file line number Diff line number Diff line change
Expand Up @@ -2911,16 +2911,15 @@ \section{Multi-Mesh Layer Height Calculation (\texorpdfstring{\textct{layer}}{la
\end{figure}


\section{Isothermal flow around activated objects (\texorpdfstring{\textct{obst\_activation}}{obst\_activation})}
\label{obst_activation_default}
\label{obst_activation_ulmat}
\section{Isothermal Flow Around Activated Objects (\texorpdfstring{\textct{obst\_activation}}{obst\_activation})}
\label{obst_activation}

The cases presented here are found in input files {\ct Pressure\_Solver/obst\_activation\_default.fds} and {\ct obst\_activation\_ulmat.fds}. The domain is split in 4 meshes and several obstacles are made to disappear and appear during the simulation. These obstacles can be completely embedded inside meshes, or either overlap or abut mesh boundaries. Default and ULMAT pressure solvers are used. In figure~\ref{obst_act_fig}, maximum simulated temperatures in the domain vs time and ambient (target) temperature are shown.
The cases presented here are found in input files {\ct Pressure\_Solver/obst\_activation\_default.fds} and {\ct obst\_activation\_ulmat.fds}. The domain is split into four meshes and several obstacles are made to disappear and appear during the simulation. These obstacles can be completely embedded inside meshes, or either overlap or abut mesh boundaries. Default (FFT) and ULMAT pressure solvers are used. Figure~\ref{obst_act_fig} displays the maximum divergence in the domain. These values should be comparable to machine precision for double precision floating point arithmetic.

\begin{figure}[!ht]
\centering
\includegraphics[height=2.2in]{SCRIPT_FIGURES/obst_activation}
\caption[Result of the \textct{obst\_activation} test cases]{Maximum temperature in domain vs time for isothermal flow around activated objects.}
\caption[Result of the \textct{obst\_activation} test cases]{Maximum divergence for isothermal flow around obstructions that appear and disappear.}
\label{obst_act_fig}
\end{figure}

Expand Down Expand Up @@ -3883,12 +3882,12 @@ \section{Ignition Delay verification with Cantera (\textct{ignition\_delay})}
\section{Combustion Load Balancing (\textct{comb\_load\_bal})}
\label{comb_load_bal}

Fire simulations can become computationally expensive due to combustion calculations, especially when detailed chemistry is involved. Often, in parallel simulations, combustion is concentrated in only a few MPI processes, while other MPI processes remain idle, waiting for the combustion-related tasks to finish. To address this, FDS incorporates a load-balancing algorithm that evenly distributes the combustion workload across all MPI processes. This can significantly speed up the detailed chemistry simulations, with performance improvements ranging from 2 to 6 times, depending on the configuration.
Fire simulations can become computationally expensive due to combustion calculations, especially when detailed chemistry is involved. Often, in parallel simulations, combustion is concentrated in only a few MPI processes, while other MPI processes remain idle, waiting for the combustion-related tasks to finish. To address this, FDS incorporates a load-balancing algorithm that evenly distributes the combustion workload across all MPI processes. This can significantly speed up the detailed chemistry simulations, with performance improvements ranging from 2 to 6 times, depending on the configuration.

Three cases are considered to verify the load-balancing algorithm: the first uses a detailed chemical mechanism (Methane\_Smooke, see Section ~\ref{ignition_delay}); the second uses two-step Arrhenius reactions; and the third involves two-step fast chemistry reactions. In all cases, gaseous fuel (methane or propane) is injected from the burner. To account for combustion in both regular cells and Immersed Boundary Cut-Cells, a sphere is placed above the burner, allowing the flame to propagate around it.


Figure \ref{fig:comb_load_bal_methane_smooke} shows the load-balancing test for the Methane\_Smoke detailed chemical mechanism using Sundials CVODE solver. In this configuration, there are 24 meshes, corresponding to 24 MPI processes. The top-left plot shows that without load balancing, each MPI process spends varying amounts of time on chemistry calculations. In contrast, with load balancing, the time spent on chemistry calculations is distributed evenly across all processes. In the no-load-balancing case, MPI process 6 spends the most time on chemistry, causing other processes to wait in the MPI communication queue, as shown in the top-right plot. With load balancing, communication time is also more evenly distributed. The overall simulation speedup with load balancing is approximately 2.2x, as depicted in the bottom-left plot. Finally, the bottom-right plot demonstrates that the results are identical with and without load balancing by comparing the wall temperatures at three locations.
Figure \ref{fig:comb_load_bal_methane_smooke} shows the load-balancing test for the Methane\_Smoke detailed chemical mechanism using Sundials CVODE solver. In this configuration, there are 24 meshes, corresponding to 24 MPI processes. The top-left plot shows that without load balancing, each MPI process spends varying amounts of time on chemistry calculations. In contrast, with load balancing, the time spent on chemistry calculations is distributed evenly across all processes. In the no-load-balancing case, MPI process 6 spends the most time on chemistry, causing other processes to wait in the MPI communication queue, as shown in the top-right plot. With load balancing, communication time is also more evenly distributed. The overall simulation speedup with load balancing is approximately 2.2x, as depicted in the bottom-left plot. Finally, the bottom-right plot demonstrates that the results are identical with and without load balancing by comparing the wall temperatures at three locations.

Figure \ref{fig:comb_load_bal_2step_Arrhenius} presents a similar load-balancing test for two-step Propane Arrhenius reactions using the FDS-RK2 ODE solver. In this configuration, there are 6 meshes, corresponding to 6 MPI processes. The load-balancing results show similar trends as observed with the detailed chemical mechanism. However, the time spent on combustion (FIRE) is significantly lower compared to the detailed chemistry case (20\% vs. 65\%). As a result, even with combustion load balancing, other processes dominate the total simulation time, limiting the speedup to just 1.2x.

Expand All @@ -3902,7 +3901,7 @@ \section{Combustion Load Balancing (\textct{comb\_load\_bal})}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Smooke_CHEM} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Smooke_COMM} \\
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Smooke_TOT} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Smooke_DEVC}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Smooke_DEVC}
\end{tabular*}
\caption[Results of the {\ct comb\_load\_balance} test cases]{Combustion load balance case using Methane\_Smooke detailed chemical mechanism.}
\label{fig:comb_load_bal_methane_smooke}
Expand All @@ -3913,7 +3912,7 @@ \section{Combustion Load Balancing (\textct{comb\_load\_bal})}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_FIRE} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_COMM} \\
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_TOT} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_DEVC}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_DEVC}
\end{tabular*}
\caption[Results of the {\ct comb\_load\_balance} test cases]{Combustion load balance case using two-step Propane Arrhenius reactions.}
\label{fig:comb_load_bal_2step_Arrhenius}
Expand All @@ -3924,7 +3923,7 @@ \section{Combustion Load Balancing (\textct{comb\_load\_bal})}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Fast_FIRE} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Fast_COMM} \\
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Fast_TOT} &
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Fast_DEVC}
\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Methane_Fast_DEVC}
\end{tabular*}
\caption[Results of the {\ct comb\_load\_balance} test cases]{Combustion load balance case using two-step Methane fast reactions.}
\label{fig:comb_load_bal_2step_fast}
Expand Down
4 changes: 3 additions & 1 deletion Source/mass.f90
Original file line number Diff line number Diff line change
Expand Up @@ -201,6 +201,7 @@ SUBROUTINE DENSITY(T,DT,NM)
REAL(EB), POINTER, DIMENSION(:,:,:,:) :: DEL_RHO_D_DEL_Z__0
REAL(EB), POINTER, DIMENSION(:,:,:) :: UU,VV,WW
TYPE(WALL_TYPE), POINTER :: WC
TYPE(EXTERNAL_WALL_TYPE), POINTER :: EWC
TYPE(BOUNDARY_COORD_TYPE), POINTER :: BC

IF (SOLID_PHASE_ONLY) RETURN
Expand Down Expand Up @@ -409,7 +410,8 @@ SUBROUTINE DENSITY(T,DT,NM)
!$OMP DO PRIVATE(IW,WC,BC)
WALL_LOOP_2: DO IW=1,N_EXTERNAL_WALL_CELLS
WC => WALL(IW)
IF (WC%BOUNDARY_TYPE/=INTERPOLATED_BOUNDARY) CYCLE WALL_LOOP_2
EWC => EXTERNAL_WALL(IW)
IF (EWC%BOUNDARY_TYPE_PREVIOUS/=INTERPOLATED_BOUNDARY) CYCLE WALL_LOOP_2
BC => BOUNDARY_COORD(WC%BC_INDEX)
SELECT CASE(BC%IOR)
CASE( 1); UU(BC%IIG-1,BC%JJG ,BC%KKG ) = UVW_SAVE(IW)
Expand Down
1 change: 1 addition & 0 deletions Source/type.f90
Original file line number Diff line number Diff line change
Expand Up @@ -462,6 +462,7 @@ MODULE TYPES
INTEGER :: KKO_MIN !< Minimum K index of adjacent cell in other mesh
INTEGER :: KKO_MAX !< Maximum K index of adjacent cell in other mesh
INTEGER :: PRESSURE_BC_TYPE !< Poisson boundary condition, NEUMANN or DIRICHLET
INTEGER :: BOUNDARY_TYPE_PREVIOUS=0 !< Boundary type at previous time step
INTEGER :: SURF_INDEX_ORIG=0 !< Original SURFace index for this cell
REAL(EB) :: AREA_RATIO !< Ratio of face areas of adjoining cells
REAL(EB) :: DUNDT=0._EB !< \f$ \partial u_n / \partial t \f$
Expand Down
4 changes: 3 additions & 1 deletion Source/velo.f90
Original file line number Diff line number Diff line change
Expand Up @@ -2597,14 +2597,16 @@ SUBROUTINE MATCH_VELOCITY(NM)
ENDIF

! Loop over all external wall cells and force adjacent normal components of velocty at interpolated boundaries to match.
! BOUNDARY_TYPE_PREVIOUS will be used at the next phase of the time step to indicate if the velocity component has been changed.

EXTERNAL_WALL_LOOP: DO IW=1,N_EXTERNAL_WALL_CELLS

WC=>WALL(IW)
EWC=>EXTERNAL_WALL(IW)
EWC%BOUNDARY_TYPE_PREVIOUS = WC%BOUNDARY_TYPE

IF (WC%BOUNDARY_TYPE/=INTERPOLATED_BOUNDARY) CYCLE EXTERNAL_WALL_LOOP

EWC=>EXTERNAL_WALL(IW)
BC =>BOUNDARY_COORD(WC%BC_INDEX)
II = BC%II
JJ = BC%JJ
Expand Down
6 changes: 3 additions & 3 deletions Utilities/Matlab/FDS_verification_dataplot_inputs.csv
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Expand Up @@ -465,8 +465,8 @@ d,ns2d_8_nupt1,NS_Analytical_Solution/ns2d_8_nupt1_git.txt,NS_Analytical_Solutio
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d,obst_activation,Pressure_Solver/obst_activation_ulmat_git.txt,Pressure_Solver/obst_activation_exact.csv,1,2,Time,D_max,Tolerance,k-,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pressure_Solver/obst_activation_ulmat_devc.csv,2,3,Time,D_max,FDS (ULMAT),r--,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Divergence (obst\_activation),Time (s),Divergence (1/s),0,2,1,1e-16,1e-13,1,no,0.05 0.90,SouthEast,,1,semilogy,FDS_Verification_Guide/SCRIPT_FIGURES/obst_activation,Absolute Error,max,1e-13,Pressure Solver,kd,k,TeX
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d,obst_coarse_fine_interface,Pressure_Effects/obst_coarse_fine_interface_git.txt,Pressure_Effects/obst_coarse_fine_interface_exact.csv,1,2,Time,DP,Analytical (DP),k-,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pressure_Effects/obst_coarse_fine_interface_devc.csv,2,3,Time,DP,FDS (DP),k--,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Background Pressure (obst\_coarse\_fine\_interface),Time (s),Pressure (Pa),0,10,1,-10,10,1,no,0.05 0.90,NorthEast,,1,linear,FDS_User_Guide/SCRIPT_FIGURES/obst_coarse_fine_interface,Absolute Error,end,2,Pressure Effects,kd,k,TeX
d,opening_ulmat,Pressure_Solver/opening_ulmat_git.txt,Pressure_Solver/opening_pressure_error.csv,1,2,Time,Pressure Tolerance,Ideal (Pressure Tolerance),ko--,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pressure_Solver/opening_ulmat_devc.csv,2,3,Time,perr-max,FDS (p err max),k-,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pressure Error (opening\_ulmat),Time (s),Pressure Error (Pa),0,10,1,0,1.00E-06,1,no,0.05 0.90,SouthEast,,1,semilogy,FDS_User_Guide/SCRIPT_FIGURES/opening_ulmat,Absolute Error,tolerance,1.00E-10,Pressure Solver,k+,k,TeX
d,parabolic_profile,Flowfields/parabolic_profile_git.txt,Flowfields/parabolic_profile.csv,1,2,Time,Pressure,Exact (Pressure),ko,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Flowfields/parabolic_profile_devc.csv,2,3,Time,pres,FDS (pres),k-,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pressure (parabolic\_profile),Time (s),Pressure (Pa),0,60,1,0,2500,1,no,0.05 0.90,SouthEast,,1,linear,FDS_User_Guide/SCRIPT_FIGURES/parabolic_profile,Relative Error,end,0.01,Pressure Effects,k+,k,TeX
Expand Down Expand Up @@ -724,4 +724,4 @@ f,pine_wood_TGA,Pyrolysis/pine_wood_TGA_exp13_3C_cat_git.txt,Pyrolysis/pine_wood
f,pine_wood_TGA,Pyrolysis/pine_wood_TGA_exp13_3C_cat_git.txt,Pyrolysis/pine_wood_TGA.csv,3,4,Temp,MLR 15,Exp (10 K/min),b*,0,100000,,0,100000,-1.00E+09,1.00E+09,0,Pyrolysis/pine_wood_TGA_exp15_3C_cat_tga.csv,2,3,Temp,Total MLR,FDS (10 K/min),b-,0,100000,,0,100000,-1.00E+09,1.00E+09,0,20.5% O_2 (pine\_wood\_TGA\_3C),Temperature (°C),Normalized Mass Loss Rate (1/s),200,550,1,0,3.20E-03,1,no,0.05 0.90,East,,1,linear,FDS_Verification_Guide/SCRIPT_FIGURES/pine_wood_TGA_3C_rate,N/A,end,0,pine wood TGA,kd,k,TeX
s,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
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5 changes: 3 additions & 2 deletions Verification/Pressure_Solver/obst_activation_default.fds
Original file line number Diff line number Diff line change
Expand Up @@ -40,9 +40,10 @@
&SLCF PBY=0.,QUANTITY='DIVERGENCE', CELL_CENTERED=T /
&SLCF PBY=0.,QUANTITY='ZONE PRESSURE SOLVER TYPE', CELL_CENTERED=T /

&DEVC ID='TEMP', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='TEMPERATURE', SPATIAL_STATISTIC='MAX', TEMPORAL_STATISTIC='INSTANT VALUE'/
&DEVC ID='D_max', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='DIVERGENCE', SPATIAL_STATISTIC='MAX', TEMPORAL_STATISTIC='INSTANT VALUE'/
&DEVC ID='D_min', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='DIVERGENCE', SPATIAL_STATISTIC='MIN', TEMPORAL_STATISTIC='INSTANT VALUE'/

&DUMP DT_DEVC=0.5, SIG_FIGS=6 /
&DUMP DT_DEVC=0.00001 /

&TAIL /

Expand Down
9 changes: 3 additions & 6 deletions Verification/Pressure_Solver/obst_activation_exact.csv
Original file line number Diff line number Diff line change
@@ -1,6 +1,3 @@
Time,TEMP
0.0,20.0
0.5,20.0
1.0,20.0
1.5,20.0
2.0,20.0
Time,D_min,D_max
0.0,-1.e-13,1.e-13
2.0,-1.e-13,1.e-13
7 changes: 4 additions & 3 deletions Verification/Pressure_Solver/obst_activation_ulmat.fds
Original file line number Diff line number Diff line change
Expand Up @@ -40,10 +40,11 @@
&SLCF PBY=0.,QUANTITY='DIVERGENCE', CELL_CENTERED=T /
&SLCF PBY=0.,QUANTITY='ZONE PRESSURE SOLVER TYPE', CELL_CENTERED=T /

&DEVC ID='TEMP', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='TEMPERATURE', SPATIAL_STATISTIC='MAX', TEMPORAL_STATISTIC='INSTANT VALUE'/
&DEVC ID='D_max', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='DIVERGENCE', SPATIAL_STATISTIC='MAX', TEMPORAL_STATISTIC='INSTANT VALUE'/
&DEVC ID='D_min', XB=0.0,3.2,-0.001,0.001,0.0,0.8, QUANTITY='DIVERGENCE', SPATIAL_STATISTIC='MIN', TEMPORAL_STATISTIC='INSTANT VALUE'/

&DUMP DT_DEVC=0.00001 /

&DUMP DT_DEVC=0.5, SIG_FIGS=6 /

&TAIL /


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