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CFL-limited adaptive timestepping for electrostatic solver #5176

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60371c1
Improve maxParticleVelocity
archermarx Aug 26, 2024
3eb3905
gpu fix 1
archermarx Aug 26, 2024
91841f0
gpu fix 2
archermarx Aug 26, 2024
20b4543
gpu fix 3 - change to general reduction
archermarx Aug 26, 2024
6f4a291
Remove seperate OMP bit
archermarx Aug 26, 2024
791c4f2
Add const qualifier for clang tidy
archermarx Aug 27, 2024
6d6df50
Refactor maxVelocity function
RemiLehe Sep 4, 2024
7852536
Merge branch 'development' into max-particle-speed
archermarx Sep 6, 2024
644cfd4
Add dt_next parameter to all Evolve + PushPX methods
archermarx Aug 27, 2024
e680421
Write first pass update dt function
archermarx Aug 27, 2024
6cf016d
First pass implementation works, need to add logic to only use it whe…
archermarx Aug 27, 2024
9839b0f
Only call update dt if no const dt supplied and solver is electrostatic
archermarx Aug 27, 2024
2d0b599
No longer errors if const_dt not specified for ES solver. still need …
archermarx Aug 27, 2024
d650416
warpx_cfl option added to picmi
archermarx Aug 27, 2024
39c751d
Address most comments from @dpgrote
archermarx Sep 6, 2024
5a4f004
Move timestep update to start of Evolve
archermarx Sep 9, 2024
b5d50c2
Merge branch 'development' into adaptive-timestepping-es
archermarx Sep 9, 2024
abb53de
Untrack accidentally-tracked files
archermarx Sep 9, 2024
cbfd1b0
Merge remote-tracking branch 'upstream/development' into adaptive-tim…
archermarx Sep 10, 2024
cce7cb9
Add max_dt param and handle zero-velocity cases
archermarx Sep 10, 2024
c442ef0
Fix time-centering of leapfrog push
archermarx Sep 10, 2024
1e51288
Merge remote-tracking branch 'upstream/development' into adaptive-tim…
archermarx Sep 12, 2024
4eb7423
Fix max dt picmi input
archermarx Sep 12, 2024
23685c9
Change condition for updating dt
archermarx Sep 12, 2024
af26fcd
Fix some more picmi stuff
archermarx Sep 12, 2024
eb71b0b
Add timestep diagnostic to docs
archermarx Sep 12, 2024
5f6df73
Add timestep diagnostic to picmi
archermarx Sep 12, 2024
3bfb57d
Initialize dt_next on restart
archermarx Sep 12, 2024
bcafbab
Add electrostatic sphere test using adaptive timestep
archermarx Sep 12, 2024
813bdad
Fix clang-tidy errors
archermarx Sep 12, 2024
8db80fb
ruff reformatting
archermarx Sep 13, 2024
0730b0e
begin refactoring based on feedback
archermarx Sep 13, 2024
b71a79b
Merge remote-tracking branch 'upstream/development' into adaptive-tim…
archermarx Sep 13, 2024
55368d5
finish refactor
archermarx Sep 13, 2024
4e16d5d
remove unused variable in WarpX.H
archermarx Sep 13, 2024
f236cec
Update checksum for new test
archermarx Sep 14, 2024
79c1901
Merge remote-tracking branch 'upstream/development' into adaptive-tim…
archermarx Sep 14, 2024
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Merge branch 'development' into adaptive-timestepping-es
archermarx Sep 17, 2024
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Address comments
archermarx Sep 17, 2024
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65 changes: 39 additions & 26 deletions Docs/source/usage/parameters.rst
Original file line number Diff line number Diff line change
Expand Up @@ -2129,14 +2129,24 @@ Time step
The ratio between the actual timestep that is used in the simulation
and the Courant-Friedrichs-Lewy (CFL) limit. (e.g. for `warpx.cfl=1`,
the timestep will be exactly equal to the CFL limit.)
This parameter will only be used with the electromagnetic solver.
For some speed v and grid spacing dx, this limits the timestep to `warpx.cfl * dx / v`.
When used with the electromagnetic solver, `v` is the speed of light.
For the electrostatic solver, `v` is the maximum speed among all particles in the domain.

* ``warpx.const_dt`` (`float`)
Allows direct specification of the time step size, in units of seconds.
When the electrostatic solver is being used, this must be supplied.
When the electrostatic solver is being used, this must be supplied if not using adaptive timestepping.
This can be used with the electromagnetic solver, overriding ``warpx.cfl``, but
it is up to the user to ensure that the CFL condition is met.

* ``warpx.dt_update_interval`` (`string`) optional (default `-1`)
How many iterations pass between timestep adaptations when using the electrostatic solver.
Must be greater than `0` to use adaptive timestepping, or else ``warpx.const_dt`` must be specified.

* ``warpx.max_dt`` (`float`) optional
The maximum timestep permitted for the electrostatic solver, when using adaptive timestepping.
If supplied, also sets the initial timestep for these simulations, before the first timestep update.

Filtering
^^^^^^^^^

Expand Down Expand Up @@ -3448,39 +3458,42 @@ Reduced Diagnostics
For 1D-Z, :math:`x`-related and :math:`y`-related quantities are not outputted.
RZ geometry is not supported yet.

* ``DifferentialLuminosity``
This type computes the differential luminosity between two species, defined as:
* ``DifferentialLuminosity``
This type computes the differential luminosity between two species, defined as:

.. math::
.. math::

\frac{d\mathcal{L}}{d\mathcal{E}^*}(\mathcal{E}^*, t) = \int_0^t dt'\int d\boldsymbol{x}\,d\boldsymbol{p}_1 d\boldsymbol{p}_2\;
\sqrt{ |\boldsymbol{v}_1 - \boldsymbol{v}_2|^2 - |\boldsymbol{v}_1\times\boldsymbol{v}_2|^2/c^2} \\ f_1(\boldsymbol{x}, \boldsymbol{p}_1, t')f_2(\boldsymbol{x}, \boldsymbol{p}_2, t') \delta(\mathcal{E}^* - \mathcal{E}^*(\boldsymbol{p}_1, \boldsymbol{p}_2))

\frac{d\mathcal{L}}{d\mathcal{E}^*}(\mathcal{E}^*, t) = \int_0^t dt'\int d\boldsymbol{x}\,d\boldsymbol{p}_1 d\boldsymbol{p}_2\;
\sqrt{ |\boldsymbol{v}_1 - \boldsymbol{v}_2|^2 - |\boldsymbol{v}_1\times\boldsymbol{v}_2|^2/c^2} \\ f_1(\boldsymbol{x}, \boldsymbol{p}_1, t')f_2(\boldsymbol{x}, \boldsymbol{p}_2, t') \delta(\mathcal{E}^* - \mathcal{E}^*(\boldsymbol{p}_1, \boldsymbol{p}_2))
where :math:`\mathcal{E}^*(\boldsymbol{p}_1, \boldsymbol{p}_2) = \sqrt{m_1^2c^4 + m_2^2c^4 + 2(m_1 m_2 c^4
\gamma_1 \gamma_2 - \boldsymbol{p}_1\cdot\boldsymbol{p}_2 c^2)}` is the energy in the center-of-mass frame,
and :math:`f_i` is the distribution function of species :math:`i`. Note that, if :math:`\sigma^*(\mathcal{E}^*)`
is the center-of-mass cross-section of a given collision process, then
:math:`\int d\mathcal{E}^* \frac{d\mathcal{L}}{d\mathcal{E}^*} (\mathcal{E}^*, t)\sigma^*(\mathcal{E}^*)`
gives the total number of collisions of that process (from the beginning of the simulation up until time :math:`t`).

where :math:`\mathcal{E}^*(\boldsymbol{p}_1, \boldsymbol{p}_2) = \sqrt{m_1^2c^4 + m_2^2c^4 + 2(m_1 m_2 c^4
\gamma_1 \gamma_2 - \boldsymbol{p}_1\cdot\boldsymbol{p}_2 c^2)}` is the energy in the center-of-mass frame,
and :math:`f_i` is the distribution function of species :math:`i`. Note that, if :math:`\sigma^*(\mathcal{E}^*)`
is the center-of-mass cross-section of a given collision process, then
:math:`\int d\mathcal{E}^* \frac{d\mathcal{L}}{d\mathcal{E}^*} (\mathcal{E}^*, t)\sigma^*(\mathcal{E}^*)`
gives the total number of collisions of that process (from the beginning of the simulation up until time :math:`t`).
The differential luminosity is given in units of :math:`\text{m}^{-2}.\text{eV}^{-1}`. For collider-relevant WarpX simulations
involving two crossing, high-energy beams of particles, the differential luminosity in :math:`\text{s}^{-1}.\text{m}^{-2}.\text{eV}^{-1}`
can be obtained by multiplying the above differential luminosity by the expected repetition rate of the beams.

The differential luminosity is given in units of :math:`\text{m}^{-2}.\text{eV}^{-1}`. For collider-relevant WarpX simulations
involving two crossing, high-energy beams of particles, the differential luminosity in :math:`\text{s}^{-1}.\text{m}^{-2}.\text{eV}^{-1}`
can be obtained by multiplying the above differential luminosity by the expected repetition rate of the beams.
In practice, the above expression of the differential luminosity is evaluated over discrete bins in energy :math:`\mathcal{E}^*`,
and by summing over macroparticles.

In practice, the above expression of the differential luminosity is evaluated over discrete bins in energy :math:`\mathcal{E}^*`,
and by summing over macroparticles.
* ``<reduced_diags_name>.species`` (`list of two strings`)
The names of the two species for which the differential luminosity is computed.

* ``<reduced_diags_name>.species`` (`list of two strings`)
The names of the two species for which the differential luminosity is computed.
* ``<reduced_diags_name>.bin_number`` (`int` > 0)
The number of bins in energy :math:`\mathcal{E}^*`

* ``<reduced_diags_name>.bin_number`` (`int` > 0)
The number of bins in energy :math:`\mathcal{E}^*`
* ``<reduced_diags_name>.bin_max`` (`float`, in eV)
The minimum value of :math:`\mathcal{E}^*` for which the differential luminosity is computed.

* ``<reduced_diags_name>.bin_max`` (`float`, in eV)
The minimum value of :math:`\mathcal{E}^*` for which the differential luminosity is computed.
* ``<reduced_diags_name>.bin_min`` (`float`, in eV)
The maximum value of :math:`\mathcal{E}^*` for which the differential luminosity is computed.

* ``<reduced_diags_name>.bin_min`` (`float`, in eV)
The maximum value of :math:`\mathcal{E}^*` for which the differential luminosity is computed.
* ``Timestep``
This type outputs the simulation's physical timestep (in seconds) at each mesh refinement level.

* ``<reduced_diags_name>.intervals`` (`string`)
Using the `Intervals Parser`_ syntax, this string defines the timesteps at which reduced
Expand Down
10 changes: 10 additions & 0 deletions Examples/Tests/electrostatic_sphere/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -41,6 +41,16 @@ add_warpx_test(
OFF # dependency
)

add_warpx_test(
test_3d_electrostatic_sphere_adaptive # name
3 # dims
2 # nprocs
inputs_test_3d_electrostatic_sphere_adaptive # inputs
analysis_electrostatic_sphere.py # analysis
diags/diag1000054 # output
OFF # dependency
)

add_warpx_test(
test_rz_electrostatic_sphere # name
RZ # dims
Expand Down
Original file line number Diff line number Diff line change
@@ -0,0 +1,47 @@
stop_time = 60e-6
warpx.cfl = 0.2
warpx.dt_update_interval = 10
warpx.max_dt = 1.5e-6
amr.n_cell = 64 64 64
amr.max_level = 0
amr.blocking_factor = 8
amr.max_grid_size = 128
geometry.dims = 3
geometry.prob_lo = -0.5 -0.5 -0.5
geometry.prob_hi = 0.5 0.5 0.5
boundary.field_lo = pec pec pec
boundary.field_hi = pec pec pec
warpx.do_electrostatic = relativistic

particles.species_names = electron

algo.field_gathering = momentum-conserving

# Order of particle shape factors
algo.particle_shape = 1

my_constants.n0 = 1.49e6
my_constants.R0 = 0.1

electron.charge = -q_e
electron.mass = m_e
electron.injection_style = "NUniformPerCell"
electron.num_particles_per_cell_each_dim = 2 2 2
electron.profile = parse_density_function
electron.density_function(x,y,z) = "(x*x + y*y + z*z < R0*R0)*n0"
electron.momentum_distribution_type = at_rest

diagnostics.diags_names = diag1 diag2

diag1.intervals = 30
diag1.diag_type = Full
diag1.fields_to_plot = Ex Ey Ez rho

diag2.intervals = 30
diag2.diag_type = Full
diag2.fields_to_plot = none
diag2.format = openpmd

warpx.reduced_diags_names = timestep
timestep.intervals = 1
timestep.type = Timestep
22 changes: 20 additions & 2 deletions Python/pywarpx/picmi.py
Original file line number Diff line number Diff line change
Expand Up @@ -1522,8 +1522,7 @@ def solver_initialize_inputs(self):
# --- Same method names are used, though mapped to lower case.
pywarpx.algo.maxwell_solver = self.method

if self.cfl is not None:
pywarpx.warpx.cfl = self.cfl
pywarpx.warpx.cfl = self.cfl

if self.source_smoother is not None:
self.source_smoother.smoother_initialize_inputs(self)
Expand Down Expand Up @@ -1880,20 +1879,38 @@ class ElectrostaticSolver(picmistandard.PICMI_ElectrostaticSolver):

warpx_self_fields_verbosity: integer, default=2
Level of verbosity for the lab frame solver

warpx_dt_update_interval: string, optional (default = -1)
How frequently the timestep is updated. Adaptive timestepping is disabled when this is <= 0.

warpx_cfl: float, optional
Fraction of the CFL condition for particle velocity vs grid size, used to set the timestep when `dt_update_interval > 0`.

warpx_max_dt: float, optional
The maximum allowable timestep when `dt_update_interval > 0`.

"""

def init(self, kw):
self.relativistic = kw.pop("warpx_relativistic", False)
self.absolute_tolerance = kw.pop("warpx_absolute_tolerance", None)
self.self_fields_verbosity = kw.pop("warpx_self_fields_verbosity", None)
self.magnetostatic = kw.pop("warpx_magnetostatic", False)
self.cfl = kw.pop("warpx_cfl", None)
self.dt_update_interval = kw.pop("dt_update_interval", None)
self.max_dt = kw.pop("warpx_max_dt", None)

def solver_initialize_inputs(self):
# Open BC means FieldBoundaryType::Open for electrostatic sims, rather than perfectly-matched layer
BC_map["open"] = "open"

self.grid.grid_initialize_inputs()

# set adaptive timestepping parameters
pywarpx.warpx.cfl = self.cfl
pywarpx.warpx.dt_update_interval = self.dt_update_interval
pywarpx.warpx.max_dt = self.max_dt

if self.relativistic:
pywarpx.warpx.do_electrostatic = "relativistic"
else:
Expand Down Expand Up @@ -3890,6 +3907,7 @@ def __init__(
"ParticleNumber",
"LoadBalanceCosts",
"LoadBalanceEfficiency",
"Timestep",
]
# The species diagnostics require a species to be provided
self._species_reduced_diagnostics = [
Expand Down
Original file line number Diff line number Diff line change
@@ -0,0 +1,17 @@
{
"lev=0": {
"Ex": 5.177444767224255,
"Ey": 5.177444767224254,
"Ez": 5.177444767224256,
"rho": 2.6092568008333797e-10
},
"electron": {
"particle_momentum_x": 1.3215019655285216e-23,
"particle_momentum_y": 1.3215019655285214e-23,
"particle_momentum_z": 1.3215019655285217e-23,
"particle_position_x": 912.2310003741203,
"particle_position_y": 912.2310003741203,
"particle_position_z": 912.2310003741202,
"particle_weight": 6212.501525878906
}
}
17 changes: 9 additions & 8 deletions Source/Diagnostics/ReducedDiags/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -3,26 +3,27 @@ foreach(D IN LISTS WarpX_DIMS)
target_sources(lib_${SD}
PRIVATE
BeamRelevant.cpp
ChargeOnEB.cpp
ColliderRelevant.cpp
DifferentialLuminosity.cpp
FieldEnergy.cpp
FieldMaximum.cpp
FieldMomentum.cpp
FieldProbe.cpp
FieldProbeParticleContainer.cpp
FieldMomentum.cpp
FieldReduction.cpp
FieldProbe.cpp
LoadBalanceCosts.cpp
LoadBalanceEfficiency.cpp
MultiReducedDiags.cpp
ParticleEnergy.cpp
ParticleMomentum.cpp
ParticleExtrema.cpp
ParticleHistogram.cpp
ParticleHistogram2D.cpp
ParticleMomentum.cpp
ParticleNumber.cpp
ReducedDiags.cpp
FieldMaximum.cpp
ParticleExtrema.cpp
RhoMaximum.cpp
ParticleNumber.cpp
FieldReduction.cpp
FieldProbe.cpp
ChargeOnEB.cpp
Timestep.cpp
)
endforeach()
24 changes: 12 additions & 12 deletions Source/Diagnostics/ReducedDiags/Make.package
Original file line number Diff line number Diff line change
@@ -1,24 +1,24 @@
CEXE_sources += MultiReducedDiags.cpp
CEXE_sources += ReducedDiags.cpp
CEXE_sources += ParticleEnergy.cpp
CEXE_sources += ParticleMomentum.cpp
CEXE_sources += FieldEnergy.cpp
CEXE_sources += FieldProbe.cpp
CEXE_sources += FieldProbeParticleContainer.cpp
CEXE_sources += FieldMomentum.cpp
CEXE_sources += BeamRelevant.cpp
CEXE_sources += ChargeOnEB.cpp
CEXE_sources += ColliderRelevant.cpp
CEXE_sources += DifferentialLuminosity.cpp
CEXE_sources += FieldEnergy.cpp
CEXE_sources += FieldMaximum.cpp
CEXE_sources += FieldMomentum.cpp
CEXE_sources += FieldProbe.cpp
CEXE_sources += FieldProbeParticleContainer.cpp
CEXE_sources += FieldReduction.cpp
CEXE_sources += LoadBalanceCosts.cpp
CEXE_sources += LoadBalanceEfficiency.cpp
CEXE_sources += ParticleEnergy.cpp
CEXE_sources += ParticleExtrema.cpp
CEXE_sources += ParticleHistogram.cpp
CEXE_sources += ParticleHistogram2D.cpp
CEXE_sources += FieldMaximum.cpp
CEXE_sources += FieldProbe.cpp
CEXE_sources += ParticleExtrema.cpp
CEXE_sources += RhoMaximum.cpp
CEXE_sources += ParticleMomentum.cpp
CEXE_sources += ParticleNumber.cpp
CEXE_sources += FieldReduction.cpp
CEXE_sources += ChargeOnEB.cpp
CEXE_sources += RhoMaximum.cpp
CEXE_sources += Timestep.cpp

VPATH_LOCATIONS += $(WARPX_HOME)/Source/Diagnostics/ReducedDiags
24 changes: 13 additions & 11 deletions Source/Diagnostics/ReducedDiags/MultiReducedDiags.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -12,8 +12,8 @@
#include "DifferentialLuminosity.H"
#include "FieldEnergy.H"
#include "FieldMaximum.H"
#include "FieldProbe.H"
#include "FieldMomentum.H"
#include "FieldProbe.H"
#include "FieldReduction.H"
#include "LoadBalanceCosts.H"
#include "LoadBalanceEfficiency.H"
Expand All @@ -24,6 +24,7 @@
#include "ParticleMomentum.H"
#include "ParticleNumber.H"
#include "RhoMaximum.H"
#include "Timestep.H"
#include "Utils/TextMsg.H"
#include "Utils/WarpXProfilerWrapper.H"

Expand Down Expand Up @@ -52,24 +53,25 @@ MultiReducedDiags::MultiReducedDiags ()
using CS = const std::string& ;
const auto reduced_diags_dictionary =
std::map<std::string, std::function<std::unique_ptr<ReducedDiags>(CS)>>{
{"BeamRelevant", [](CS s){return std::make_unique<BeamRelevant>(s);}},
{"ChargeOnEB", [](CS s){return std::make_unique<ChargeOnEB>(s);}},
{"ColliderRelevant", [](CS s){return std::make_unique<ColliderRelevant>(s);}},
{"DifferentialLuminosity",[](CS s){return std::make_unique<DifferentialLuminosity>(s);}},
{"ParticleEnergy", [](CS s){return std::make_unique<ParticleEnergy>(s);}},
{"ParticleExtrema", [](CS s){return std::make_unique<ParticleExtrema>(s);}},
{"ParticleHistogram", [](CS s){return std::make_unique<ParticleHistogram>(s);}},
{"ParticleHistogram2D", [](CS s){return std::make_unique<ParticleHistogram2D>(s);}},
{"ParticleMomentum", [](CS s){return std::make_unique<ParticleMomentum>(s);}},
{"ParticleNumber", [](CS s){return std::make_unique<ParticleNumber>(s);}},
{"FieldEnergy", [](CS s){return std::make_unique<FieldEnergy>(s);}},
{"FieldMomentum", [](CS s){return std::make_unique<FieldMomentum>(s);}},
{"FieldMaximum", [](CS s){return std::make_unique<FieldMaximum>(s);}},
{"FieldMomentum", [](CS s){return std::make_unique<FieldMomentum>(s);}},
{"FieldProbe", [](CS s){return std::make_unique<FieldProbe>(s);}},
{"FieldReduction", [](CS s){return std::make_unique<FieldReduction>(s);}},
{"RhoMaximum", [](CS s){return std::make_unique<RhoMaximum>(s);}},
{"BeamRelevant", [](CS s){return std::make_unique<BeamRelevant>(s);}},
{"ColliderRelevant", [](CS s){return std::make_unique<ColliderRelevant>(s);}},
{"DifferentialLuminosity",[](CS s){return std::make_unique<DifferentialLuminosity>(s);}},
{"LoadBalanceCosts", [](CS s){return std::make_unique<LoadBalanceCosts>(s);}},
{"LoadBalanceEfficiency", [](CS s){return std::make_unique<LoadBalanceEfficiency>(s);}},
{"ParticleHistogram", [](CS s){return std::make_unique<ParticleHistogram>(s);}},
{"ParticleHistogram2D", [](CS s){return std::make_unique<ParticleHistogram2D>(s);}},
{"ParticleNumber", [](CS s){return std::make_unique<ParticleNumber>(s);}},
{"ParticleExtrema", [](CS s){return std::make_unique<ParticleExtrema>(s);}},
{"ChargeOnEB", [](CS s){return std::make_unique<ChargeOnEB>(s);}}
{"RhoMaximum", [](CS s){return std::make_unique<RhoMaximum>(s);}},
{"Timestep", [](CS s){return std::make_unique<Timestep>(s);}}
};
// loop over all reduced diags and fill m_multi_rd with requested reduced diags
std::transform(m_rd_names.begin(), m_rd_names.end(), std::back_inserter(m_multi_rd),
Expand Down
35 changes: 35 additions & 0 deletions Source/Diagnostics/ReducedDiags/Timestep.H
Original file line number Diff line number Diff line change
@@ -0,0 +1,35 @@
/* Copyright 2024 The WarpX Community
*
* This file is part of WarpX.
*
* Authors: Thomas Marks
*
* License: BSD-3-Clause-LBNL
*/

#ifndef WARPX_DIAGNOSTICS_REDUCEDDIAGS_TIMESTEP_H_
#define WARPX_DIAGNOSTICS_REDUCEDDIAGS_TIMESTEP_H_

#include "ReducedDiags.H"
#include <string>

/**
* This class contains a function for retrieving the current simulation timestep as a diagnostic.
* Useful mainly for simulations using adaptive timestepping.
*/
class Timestep: public ReducedDiags {
public:
/**
* constructor
* @param[in] rd_name reduced diags name
*/
Timestep (const std::string& rd_name);

/**
* This function gets the current physical timestep of the simulation at all refinement levels.
* @param[in] step current time step
*/
void ComputeDiags (int step) final;
};

#endif //WARPX_DIAGNOSTICS_REDUCEDDIAGS_TIMESTEP_H_
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