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momas_benchmark.cpp
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rSPECMICP SpecMiCP / ReactMiCP
momas_benchmark.cpp
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#include "specmicp/adimensional/adimensional_system_solver.hpp"
#include "specmicp/adimensional/adimensional_system_solution.hpp"
#include "specmicp/problem_solver/dissolver.hpp"
#include "specmicp/problem_solver/formulation.hpp"
#include "specmicp/adimensional/adimensional_system_solution_extractor.hpp"
#include "specmicp/adimensional/equilibrium_curve.hpp"
#include "reactmicp/solver/staggers_base/upscaling_stagger_base.hpp"
#include "reactmicp/solver/staggers_base/stagger_structs.hpp"
#include "reactmicp/solver/reactive_transport_solver.hpp"
#include "reactmicp/systems/saturated_react/variables.hpp"
#include "reactmicp/systems/saturated_react/transport_stagger.hpp"
#include "reactmicp/systems/saturated_react/equilibrium_stagger.hpp"
#include "reactmicp/systems/saturated_react/init_variables.hpp"
#include "dfpm/meshes/axisymmetric_uniform_mesh1d.hpp"
#include "dfpm/meshes/axisymmetric_mesh1d.hpp"
#include "dfpm/meshes/uniform_mesh1d.hpp"
#include "utils/log.hpp"
#include <iostream>
#include <fstream>
#include <chrono>
#include <ctime>
#include "database/selector.hpp"
#include "reactmicp/solver/timestepper.hpp"
#include "utils/io/reactive_transport.hpp"
#include "utils/timer.hpp"
// parameters
#define DX 0.005
#define IS_ADVECTIVE true
#define MIN_DT 0.0001
#define MAX_DT 10.0
#define RESTART_DT MIN_DT
using
namespace
specmicp
;
RawDatabasePtr
get_momas_db
()
{
database
::
Database
thedatabase
(
"../data/momas_benchmark.js"
);
return
thedatabase
.
get_database
();
}
void
prepare_db_for_easy_case
(
RawDatabasePtr
raw_data
)
{
database
::
DatabaseSelector
selector
(
raw_data
);
selector
.
remove_component
({
selector
.
component_label_to_id
(
"X5"
),});
specmicp_assert
(
raw_data
->
nb_component
==
5
);
selector
.
remove_all_minerals
();
//std::cout << selector.aqueous_label_to_id("C6") << " - " << selector.aqueous_label_to_id("C7") << std::endl;
selector
.
remove_aqueous
({
selector
.
aqueous_label_to_id
(
"C6"
),
selector
.
aqueous_label_to_id
(
"C7"
)});
//specmicp_assert(raw_data->nb_aqueous == 5);
}
AdimensionalSystemSolution
easy_material_a
(
RawDatabasePtr
raw_data
,
const
AdimensionalSystemConstraints
&
constraints
,
// const AdimensionalSystemSolution& initial_solution,
const
AdimensionalSystemSolverOptions
&
options
)
{
specmicp
::
Vector
variables
;
specmicp
::
AdimensionalSystemSolver
solver
(
raw_data
,
constraints
,
options
);
specmicp
::
micpsolver
::
MiCPPerformance
current_perf
=
solver
.
solve
(
variables
,
true
);
if
(
current_perf
.
return_code
!=
micpsolver
::
MiCPSolverReturnCode
::
ResidualMinimized
)
throw
std
::
runtime_error
(
"Failed to solve initial solution for material A."
);
return
solver
.
get_raw_solution
(
variables
);
}
AdimensionalSystemSolution
easy_material_b
(
RawDatabasePtr
raw_data
,
const
AdimensionalSystemConstraints
&
constraints
,
const
specmicp
::
AdimensionalSystemSolverOptions
&
options
)
{
specmicp
::
Vector
variables
;
specmicp
::
AdimensionalSystemSolver
solver
(
raw_data
,
constraints
,
options
);
specmicp
::
micpsolver
::
MiCPPerformance
current_perf
=
solver
.
solve
(
variables
,
true
);
if
(
current_perf
.
return_code
!=
micpsolver
::
MiCPSolverReturnCode
::
ResidualMinimized
)
throw
std
::
runtime_error
(
"Failed to solve initial solution for material B."
);
return
solver
.
get_raw_solution
(
variables
);
}
AdimensionalSystemSolution
easy_bc
(
RawDatabasePtr
raw_data
,
const
AdimensionalSystemConstraints
&
constraints
,
const
specmicp
::
AdimensionalSystemSolverOptions
&
options
)
{
specmicp
::
Vector
variables
;
specmicp
::
AdimensionalSystemSolver
solver
(
raw_data
,
constraints
,
options
);
solver
.
initialise_variables
(
variables
,
1.0
,
-
4.0
);
solver
.
run_pcfm
(
variables
);
specmicp
::
micpsolver
::
MiCPPerformance
current_perf
=
solver
.
solve
(
variables
,
false
);
if
(
current_perf
.
return_code
!=
micpsolver
::
MiCPSolverReturnCode
::
ResidualMinimized
)
throw
std
::
runtime_error
(
"Failed to solve initial solution for BC."
);
return
solver
.
get_raw_solution
(
variables
);
}
using
namespace
specmicp
::
reactmicp
;
using
namespace
specmicp
::
reactmicp
::
solver
;
using
namespace
specmicp
::
reactmicp
::
systems
::
satdiff
;
class
MoMasUspcaling
:
public
solver
::
UpscalingStaggerBase
{
public
:
MoMasUspcaling
(
RawDatabasePtr
the_database
,
units
::
UnitsSet
the_units
,
bool
advective
)
:
m_data
(
the_database
),
m_units_set
(
the_units
),
m_advective
(
advective
)
{
}
//! \brief Initialize the stagger at the beginning of the computation
void
initialize
(
VariablesBasePtr
var
)
{
SaturatedVariablesPtr
true_var
=
cast_var_from_base
(
var
);
database
::
Database
db_handler
(
m_data
);
true_var
->
upscaling_variables
().
setZero
();
for
(
index_t
node
=
0
;
node
<
true_var
->
nb_nodes
();
++
node
)
{
// if material b
const
scalar_t
coord
=
true_var
->
get_mesh
()
->
get_position
(
node
);
if
(
coord
<
1.1
and
coord
>=
1.0
)
{
true_var
->
porosity
(
node
)
=
0.5
;
true_var
->
permeability
(
node
)
=
1e-5
;
if
(
m_advective
)
true_var
->
diffusion_coefficient
(
node
)
=
3.3e-4
;
else
true_var
->
diffusion_coefficient
(
node
)
=
330e-3
;
true_var
->
fluid_velocity
(
node
)
=
5.5e-3
;
}
else
// material a
{
true_var
->
porosity
(
node
)
=
0.25
;
true_var
->
permeability
(
node
)
=
1e-2
;
if
(
m_advective
)
true_var
->
diffusion_coefficient
(
node
)
=
5.5e-5
;
else
true_var
->
diffusion_coefficient
(
node
)
=
55e-3
;
true_var
->
fluid_velocity
(
node
)
=
5.5e-3
;
}
std
::
cout
<<
"node : "
<<
node
<<
" - porosity : "
<<
true_var
->
porosity
(
node
)
<<
std
::
endl
;
}
}
//! \brief Initialize the stagger at the beginning of an iteration
void
initialize_timestep
(
scalar_t
dt
,
VariablesBasePtr
var
)
{
}
//! \brief Solve the equation for the timestep
StaggerReturnCode
restart_timestep
(
VariablesBasePtr
var
)
{
return
StaggerReturnCode
::
ResidualMinimized
;
}
private
:
RawDatabasePtr
m_data
;
units
::
UnitsSet
m_units_set
;
index_t
m_id_cshj
;
scalar_t
m_initial_sat_cshj
;
scalar_t
m_dt
;
bool
m_advective
;
};
AdimensionalSystemConstraints
get_constraints_easy_a
()
{
Vector
total_concentrations
(
5
);
total_concentrations
<<
1
,
0.0
,
-
2.0
,
0.0
,
2.0
;
AdimensionalSystemConstraints
constraints_a
(
0.25
*
total_concentrations
);
constraints_a
.
disable_conservation_water
();
constraints_a
.
surface_model
.
model_type
=
SurfaceEquationType
::
Equilibrium
;
constraints_a
.
surface_model
.
concentration
=
0.25
*
1.0
;
constraints_a
.
inert_volume_fraction
=
0.75
;
return
constraints_a
;
}
AdimensionalSystemConstraints
get_constraints_easy_b
()
{
Vector
total_concentrations
(
5
);
total_concentrations
<<
1
,
0.0
,
-
2.0
,
0.0
,
2.0
;
AdimensionalSystemConstraints
constraints_b
(
0.5
*
total_concentrations
);
constraints_b
.
disable_conservation_water
();
constraints_b
.
surface_model
.
model_type
=
SurfaceEquationType
::
Equilibrium
;
constraints_b
.
surface_model
.
concentration
=
0.5
*
10.0
;
constraints_b
.
inert_volume_fraction
=
0.5
;
return
constraints_b
;
}
AdimensionalSystemConstraints
get_constraints_easy_bc
()
{
Vector
total_concentrations_bc
(
5
);
total_concentrations_bc
<<
1
,
0.3
,
0.3
,
0.3
,
0.0
;
AdimensionalSystemConstraints
constraints_bc
(
total_concentrations_bc
);
constraints_bc
.
disable_conservation_water
();
constraints_bc
.
surface_model
.
model_type
=
SurfaceEquationType
::
NoEquation
;
constraints_bc
.
surface_model
.
concentration
=
0.0
;
constraints_bc
.
inert_volume_fraction
=
0.0
;
return
constraints_bc
;
}
AdimensionalSystemSolverOptions
get_specmicp_options
()
{
AdimensionalSystemSolverOptions
options
;
options
.
solver_options
.
maxstep
=
1.0
;
options
.
solver_options
.
max_iter
=
200
;
options
.
solver_options
.
maxiter_maxstep
=
200
;
options
.
solver_options
.
use_crashing
=
false
;
options
.
solver_options
.
use_scaling
=
false
;
options
.
solver_options
.
non_monotone_linesearch
=
false
;
options
.
solver_options
.
factor_descent_condition
=
-
1
;
options
.
solver_options
.
factor_gradient_search_direction
=
100
;
options
.
solver_options
.
projection_min_variable
=
1e-9
;
options
.
solver_options
.
fvectol
=
1e-12
;
options
.
solver_options
.
steptol
=
1e-16
;
options
.
solver_options
.
threshold_cycling_linesearch
=
1e-8
;
options
.
system_options
.
non_ideality_tolerance
=
1e-10
;
options
.
system_options
.
non_ideality
=
false
;
options
.
system_options
.
restart_concentration
=
-
2
;
options
.
use_pcfm
=
true
;
return
options
;
}
mesh
::
Mesh1DPtr
get_mesh
(
scalar_t
dx
)
{
scalar_t
tot_length
=
2.1
+
dx
;
index_t
nb_nodes
=
tot_length
/
dx
+
2
;
return
mesh
::
uniform_mesh1d
(
nb_nodes
,
dx
,
1.0
);
}
void
set_transport_options
(
dfpmsolver
::
ParabolicDriverOptions
&
transport_options
)
{
transport_options
.
maximum_iterations
=
450
;
transport_options
.
quasi_newton
=
3
;
transport_options
.
residuals_tolerance
=
1e-8
;
transport_options
.
step_tolerance
=
1e-16
;
transport_options
.
absolute_tolerance
=
1e-6
;
transport_options
.
alpha
=
1.0
;
//transport_options.linesearch = dfpmsolver::ParabolicLinesearch::Strang;
transport_options
.
sparse_solver
=
SparseSolver
::
SparseLU
;
//transport_options.sparse_solver = SparseSolver::GMRES;
transport_options
.
threshold_stationary_point
=
1e-2
;
}
void
set_reactive_solver_options
(
reactmicp
::
solver
::
ReactiveTransportOptions
&
reactive_options
)
{
reactive_options
.
maximum_iterations
=
50
;
//500;
reactive_options
.
residuals_tolerance
=
1e-2
;
reactive_options
.
good_enough_tolerance
=
1.0
;
reactive_options
.
absolute_residuals_tolerance
=
1e-6
;
reactive_options
.
implicit_upscaling
=
false
;
}
int
main
()
{
Timer
global_timer
;
global_timer
.
start
();
std
::
ofstream
output_gen
(
"out_momas_out.txt"
);
io
::
print_reactmicp_header
(
&
output_gen
);
specmicp
::
logger
::
ErrFile
::
stream
()
=
&
output_gen
;
//&std::cerr;
specmicp
::
stdlog
::
ReportLevel
()
=
specmicp
::
logger
::
Warning
;
RawDatabasePtr
database
=
get_momas_db
();
prepare_db_for_easy_case
(
database
);
units
::
UnitsSet
the_units
=
units
::
UnitsSet
();
the_units
.
length
=
units
::
LengthUnit
::
decimeter
;
// so that rho_w ~ 1
scalar_t
dx
=
DX
;
mesh
::
Mesh1DPtr
the_mesh
=
get_mesh
(
dx
);
AdimensionalSystemConstraints
constraints_a
=
get_constraints_easy_a
();
AdimensionalSystemConstraints
constraints_b
=
get_constraints_easy_b
();
AdimensionalSystemConstraints
constraints_bc
=
get_constraints_easy_bc
();
AdimensionalSystemSolverOptions
options
=
get_specmicp_options
();
options
.
units_set
=
the_units
;
AdimensionalSystemSolution
mat_bc
=
easy_bc
(
database
,
constraints_bc
,
options
);
AdimensionalSystemSolution
mat_a
=
easy_material_a
(
database
,
constraints_a
,
options
);
AdimensionalSystemSolution
mat_b
=
easy_material_b
(
database
,
constraints_b
,
options
);
options
.
solver_options
.
maxstep
=
1.0
;
options
.
solver_options
.
use_scaling
=
true
;
options
.
solver_options
.
non_monotone_linesearch
=
true
;
index_t
nb_nodes
=
the_mesh
->
nb_nodes
();
std
::
vector
<
specmicp
::
AdimensionalSystemConstraints
>
list_constraints
=
{
constraints_a
,
constraints_b
,
constraints_bc
};
std
::
vector
<
specmicp
::
AdimensionalSystemSolution
>
list_initial_composition
=
{
mat_a
,
mat_b
,
mat_bc
};
std
::
vector
<
int
>
index_initial_state
(
nb_nodes
,
0
);
std
::
vector
<
int
>
index_constraints
(
nb_nodes
,
0
);
index_t
start_mat_b
=
1.0
/
dx
;
index_t
end_mat_b
=
1.1
/
dx
;
for
(
index_t
node
=
start_mat_b
;
node
<
end_mat_b
;
++
node
)
{
index_initial_state
[
node
]
=
1
;
index_constraints
[
node
]
=
1
;
}
index_initial_state
[
0
]
=
2
;
index_constraints
[
0
]
=
2
;
std
::
vector
<
specmicp
::
index_t
>
list_fixed_nodes
=
{
0
,
};
std
::
map
<
index_t
,
index_t
>
list_slaves_nodes
=
{{
nb_nodes
-
1
,
nb_nodes
-
2
}};
std
::
vector
<
index_t
>
list_immobile_components
=
{
0
};
systems
::
satdiff
::
SaturatedVariablesPtr
variables
=
systems
::
satdiff
::
init_variables
(
the_mesh
,
database
,
the_units
,
list_fixed_nodes
,
list_initial_composition
,
index_initial_state
);
ChemistryStaggerPtr
equilibrium_stagger
=
std
::
make_shared
<
reactmicp
::
systems
::
satdiff
::
EquilibriumStagger
>
(
list_constraints
,
index_constraints
,
options
);
std
::
shared_ptr
<
reactmicp
::
systems
::
satdiff
::
SaturatedTransportStagger
>
transport_stagger
=
std
::
make_shared
<
reactmicp
::
systems
::
satdiff
::
SaturatedTransportStagger
>
(
variables
,
list_fixed_nodes
,
list_slaves_nodes
,
list_immobile_components
);
set_transport_options
(
transport_stagger
->
options_solver
());
const
bool
is_advective
=
IS_ADVECTIVE
;
UpscalingStaggerPtr
upscaling_stagger
=
std
::
make_shared
<
MoMasUspcaling
>
(
database
,
the_units
,
is_advective
);
ReactiveTransportSolver
solver
(
transport_stagger
,
equilibrium_stagger
,
upscaling_stagger
);
transport_stagger
->
initialize
(
variables
);
equilibrium_stagger
->
initialize
(
variables
);
upscaling_stagger
->
initialize
(
variables
);
set_reactive_solver_options
(
solver
.
get_options
());
// mesh output
std
::
ofstream
output_mesh
;
output_mesh
.
open
(
"out_momas_mesh.dat"
);
output_mesh
<<
"Node
\t
Position"
<<
std
::
endl
;
for
(
index_t
node:
the_mesh
->
range_nodes
())
{
output_mesh
<<
node
<<
"
\t
"
<<
the_mesh
->
get_position
(
node
)
-
dx
/
2.0
<<
std
::
endl
;
}
output_mesh
.
close
();
//std::cout << variables->displacement() << std::endl;
std
::
ofstream
output_iter
(
"out_momas_iter.dat"
);
std
::
ofstream
output_x1
,
output_x2
,
output_x3
,
output_x4
;
std
::
ofstream
output_sx1
,
output_sx2
,
output_sx3
,
output_sx4
;
std
::
ofstream
output_c1
,
output_c2
,
output_s
;
output_x1
.
open
(
"out_momas_x1.dat"
);
output_x2
.
open
(
"out_momas_x2.dat"
);
output_x3
.
open
(
"out_momas_x3.dat"
);
output_x4
.
open
(
"out_momas_x4.dat"
);
output_sx1
.
open
(
"out_momas_sx1.dat"
);
output_sx2
.
open
(
"out_momas_sx2.dat"
);
output_sx3
.
open
(
"out_momas_sx3.dat"
);
output_sx4
.
open
(
"out_momas_sx4.dat"
);
output_c1
.
open
(
"out_momas_c1.dat"
);
output_c2
.
open
(
"out_momas_c2.dat"
);
output_s
.
open
(
"out_momas_s.dat"
);
index_t
cnt
=
0
;
scalar_t
dt
=
RESTART_DT
;
reactmicp
::
solver
::
Timestepper
timestepper
(
MIN_DT
,
MAX_DT
,
5000
,
2
);
timestepper
.
get_options
().
alpha_average
=
0.3
;
timestepper
.
get_options
().
decrease_failure
=
0.1
;
timestepper
.
get_options
().
increase_factor
=
1.05
;
timestepper
.
get_options
().
decrease_factor
=
0.50
;
timestepper
.
get_options
().
iteration_lower_target
=
1.001
;
io
::
print_reactmicp_performance_long_header
(
&
output_iter
);
while
(
timestepper
.
get_total
()
<
timestepper
.
get_total_target
())
{
output_gen
<<
"dt : "
<<
dt
<<
std
::
endl
;
Timer
step_timer
;
step_timer
.
start
();
reactmicp
::
solver
::
ReactiveTransportReturnCode
retcode
=
solver
.
solve_timestep
(
dt
,
variables
);
step_timer
.
stop
();
// if (retcode > reactmicp::solver::ReactiveTransportReturnCode::NotConvergedYet)
//{
io
::
print_reactmicp_performance_long
(
&
output_iter
,
cnt
,
timestepper
.
get_total
()
+
dt
,
solver
.
get_perfs
());
//}
dt
=
timestepper
.
next_timestep
(
dt
,
retcode
,
solver
.
get_perfs
().
nb_iterations
);
if
(
retcode
<=
reactmicp
::
solver
::
ReactiveTransportReturnCode
::
NotConvergedYet
)
{
dt
=
RESTART_DT
;
variables
->
reset_main_variables
();
retcode
=
solver
.
solve_timestep
(
dt
,
variables
);
dt
=
timestepper
.
next_timestep
(
dt
,
retcode
,
solver
.
get_perfs
().
nb_iterations
);
io
::
print_reactmicp_performance_long
(
&
output_iter
,
cnt
,
timestepper
.
get_total
(),
solver
.
get_perfs
());
}
output_gen
<<
"Time : "
<<
timestepper
.
get_total
()
<<
std
::
endl
;
io
::
print_reactmicp_performance_short
(
&
output_gen
,
solver
.
get_perfs
());
scalar_t
total
=
timestepper
.
get_total
();
if
(
cnt
%
10
==
0
)
{
output_x1
<<
total
;
output_x2
<<
total
;
output_x3
<<
total
;
output_x4
<<
total
;
output_sx1
<<
total
;
output_sx2
<<
total
;
output_sx3
<<
total
;
output_sx4
<<
total
;
output_c1
<<
total
;
output_c2
<<
total
;
output_s
<<
total
;
for
(
index_t
node:
the_mesh
->
range_nodes
())
{
output_x1
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
1
,
variables
->
displacement
());
output_x2
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
2
,
variables
->
displacement
());
output_x3
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
3
,
variables
->
displacement
());
output_x4
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
4
,
variables
->
displacement
());
output_sx1
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
1
,
variables
->
displacement
());
output_sx2
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
2
,
variables
->
displacement
());
output_sx3
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
3
,
variables
->
displacement
());
output_sx4
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
4
,
variables
->
displacement
());
output_c1
<<
"
\t
"
<<
variables
->
equilibrium_solution
(
node
).
secondary_molalities
(
0
);
output_c2
<<
"
\t
"
<<
variables
->
equilibrium_solution
(
node
).
secondary_molalities
(
1
);
output_s
<<
"
\t
"
<<
pow10
(
variables
->
equilibrium_solution
(
node
).
main_variables
(
5
));
}
output_x1
<<
std
::
endl
;
output_x2
<<
std
::
endl
;
output_x3
<<
std
::
endl
;
output_x4
<<
std
::
endl
;
output_sx1
<<
std
::
endl
;
output_sx2
<<
std
::
endl
;
output_sx3
<<
std
::
endl
;
output_sx4
<<
std
::
endl
;
output_c1
<<
std
::
endl
;
output_c2
<<
std
::
endl
;
output_s
<<
std
::
endl
;
}
++
cnt
;
}
variables
->
displacement
()(
1
)
=
0
;
variables
->
displacement
()(
2
)
=
-
2.0
;
variables
->
displacement
()(
3
)
=
0
;
variables
->
displacement
()(
4
)
=
2.0
;
variables
->
displacement
()(
6
)
=
0.0
;
variables
->
displacement
()(
7
)
=
0.0
;
variables
->
displacement
()(
8
)
=
0.0
;
timestepper
.
set_total_target
(
6000
);
dt
=
RESTART_DT
;
transport_stagger
->
options_solver
().
absolute_tolerance
=
1e-10
;
solver
.
get_options
().
absolute_residuals_tolerance
=
1e-6
;
while
(
timestepper
.
get_total
()
<
timestepper
.
get_total_target
())
{
output_gen
<<
"dt : "
<<
dt
<<
std
::
endl
;
Timer
step_timer
;
step_timer
.
start
();
reactmicp
::
solver
::
ReactiveTransportReturnCode
retcode
=
solver
.
solve_timestep
(
dt
,
variables
);
step_timer
.
stop
();
// if (retcode > reactmicp::solver::ReactiveTransportReturnCode::NotConvergedYet)
//{
io
::
print_reactmicp_performance_long
(
&
output_iter
,
cnt
,
timestepper
.
get_total
()
+
dt
,
solver
.
get_perfs
());
//}
dt
=
timestepper
.
next_timestep
(
dt
,
retcode
,
solver
.
get_perfs
().
nb_iterations
);
if
(
retcode
<=
reactmicp
::
solver
::
ReactiveTransportReturnCode
::
NotConvergedYet
)
{
dt
=
RESTART_DT
;
variables
->
reset_main_variables
();
retcode
=
solver
.
solve_timestep
(
dt
,
variables
);
dt
=
timestepper
.
next_timestep
(
dt
,
retcode
,
solver
.
get_perfs
().
nb_iterations
);
io
::
print_reactmicp_performance_long
(
&
output_iter
,
cnt
,
timestepper
.
get_total
(),
solver
.
get_perfs
());
}
output_gen
<<
"Time : "
<<
timestepper
.
get_total
()
<<
std
::
endl
;
io
::
print_reactmicp_performance_short
(
&
output_gen
,
solver
.
get_perfs
());
scalar_t
total
=
timestepper
.
get_total
();
if
(
cnt
%
10
==
0
)
{
output_x1
<<
total
;
output_x2
<<
total
;
output_x3
<<
total
;
output_x4
<<
total
;
output_sx1
<<
total
;
output_sx2
<<
total
;
output_sx3
<<
total
;
output_sx4
<<
total
;
output_c1
<<
total
;
output_c2
<<
total
;
output_s
<<
total
;
for
(
index_t
node:
the_mesh
->
range_nodes
())
{
output_x1
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
1
,
variables
->
displacement
());
output_x2
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
2
,
variables
->
displacement
());
output_x3
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
3
,
variables
->
displacement
());
output_x4
<<
"
\t
"
<<
variables
->
aqueous_concentration
(
node
,
4
,
variables
->
displacement
());
output_sx1
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
1
,
variables
->
displacement
());
output_sx2
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
2
,
variables
->
displacement
());
output_sx3
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
3
,
variables
->
displacement
());
output_sx4
<<
"
\t
"
<<
variables
->
solid_concentration
(
node
,
4
,
variables
->
displacement
());
output_c1
<<
"
\t
"
<<
variables
->
equilibrium_solution
(
node
).
secondary_molalities
(
0
);
output_c2
<<
"
\t
"
<<
variables
->
equilibrium_solution
(
node
).
secondary_molalities
(
1
);
output_s
<<
"
\t
"
<<
pow10
(
variables
->
equilibrium_solution
(
node
).
main_variables
(
5
));
}
output_x1
<<
std
::
endl
;
output_x2
<<
std
::
endl
;
output_x3
<<
std
::
endl
;
output_x4
<<
std
::
endl
;
output_sx1
<<
std
::
endl
;
output_sx2
<<
std
::
endl
;
output_sx3
<<
std
::
endl
;
output_sx4
<<
std
::
endl
;
output_c1
<<
std
::
endl
;
output_c2
<<
std
::
endl
;
output_s
<<
std
::
endl
;
}
++
cnt
;
}
reactmicp
::
solver
::
ReactiveTransportTimer
timer
=
solver
.
get_timer
();
io
::
print_reactmicp_timer
(
&
output_gen
,
timer
);
global_timer
.
stop
();
output_gen
<<
"Total computation time : "
<<
global_timer
.
elapsed_time
()
<<
"s."
<<
std
::
endl
;
return
EXIT_SUCCESS
;
}
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