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A domain decomposition approachto exponential methods for PDEs
Luca Bonaventura
MOX - Politecnico di Milano
Boulder, 8.04.2014
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 1 / 16
Outline of the talk
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Outline of the talk
◮ Short review of exponential integrators
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Outline of the talk
◮ Short review of exponential integrators
◮ An accuracy and efficiency assessment of simple approaches totheir application
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Outline of the talk
◮ Short review of exponential integrators
◮ An accuracy and efficiency assessment of simple approaches totheir application
◮ Local Exponential Methods:a domain decomposition approach to exponential methods
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Outline of the talk
◮ Short review of exponential integrators
◮ An accuracy and efficiency assessment of simple approaches totheir application
◮ Local Exponential Methods:a domain decomposition approach to exponential methods
◮ Some preliminary numerical results
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Outline of the talk
◮ Short review of exponential integrators
◮ An accuracy and efficiency assessment of simple approaches totheir application
◮ Local Exponential Methods:a domain decomposition approach to exponential methods
◮ Some preliminary numerical results
◮ Conclusions and perspectives for atmospheric modelling
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 2 / 16
Basic idea of exponential methods
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 3 / 16
Basic idea of exponential methods
◮ Cauchy problem for nonhomogeneous linear ODE system:
du
dt= Au+ g(t) u(0) = u0
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 3 / 16
Basic idea of exponential methods
◮ Cauchy problem for nonhomogeneous linear ODE system:
du
dt= Au+ g(t) u(0) = u0
◮ Representation formula for the exact solution:
u(t) = exp (At)u0 +
∫ t
0exp (A(t − s))g(s) ds
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 3 / 16
Basic idea of exponential methods
◮ Cauchy problem for nonhomogeneous linear ODE system:
du
dt= Au+ g(t) u(0) = u0
◮ Representation formula for the exact solution:
u(t) = exp (At)u0 +
∫ t
0exp (A(t − s))g(s) ds
◮ Exponential methods: turn this into a numerical method witherrors indepentent of ∆t for linear problems
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 3 / 16
Basic idea of exponential methods
◮ Cauchy problem for nonhomogeneous linear ODE system:
du
dt= Au+ g(t) u(0) = u0
◮ Representation formula for the exact solution:
u(t) = exp (At)u0 +
∫ t
0exp (A(t − s))g(s) ds
◮ Exponential methods: turn this into a numerical method witherrors indepentent of ∆t for linear problems
◮ Various extensions to nonlinear problems are available
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 3 / 16
Exponential Euler Rosenbrock methods
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 4 / 16
Exponential Euler Rosenbrock methods
◮ Linearize around initial datum at each timestep
du
dt= f(u) = f(un) + Jn(u− un) + R(u) t ∈ [tn, tn+1]
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 4 / 16
Exponential Euler Rosenbrock methods
◮ Linearize around initial datum at each timestep
du
dt= f(u) = f(un) + Jn(u− un) + R(u) t ∈ [tn, tn+1]
◮ Freezing nonlinear terms yields
un+1 = un +∆tφ(
Jn∆t)
f(un) φ(z) =exp (z)− 1
z
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 4 / 16
Exponential Euler Rosenbrock methods
◮ Linearize around initial datum at each timestep
du
dt= f(u) = f(un) + Jn(u− un) + R(u) t ∈ [tn, tn+1]
◮ Freezing nonlinear terms yields
un+1 = un +∆tφ(
Jn∆t)
f(un) φ(z) =exp (z)− 1
z
◮ Essentially exact for linear, constant coefficient problems,unconditionally A-stable, second order for nonlinear problems,higher order variants available (Hochbruck et al 1997)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 4 / 16
Exponential Euler Rosenbrock methods
◮ Linearize around initial datum at each timestep
du
dt= f(u) = f(un) + Jn(u− un) + R(u) t ∈ [tn, tn+1]
◮ Freezing nonlinear terms yields
un+1 = un +∆tφ(
Jn∆t)
f(un) φ(z) =exp (z)− 1
z
◮ Essentially exact for linear, constant coefficient problems,unconditionally A-stable, second order for nonlinear problems,higher order variants available (Hochbruck et al 1997)
◮ Stiff one step, one stage second order solver with oneevaluation of RHS: think of the physics...
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 4 / 16
Main computational problems and solutions
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 5 / 16
Main computational problems and solutions
◮ Exponential matrix cannot be stored for realistic PDE problems
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 5 / 16
Main computational problems and solutions
◮ Exponential matrix cannot be stored for realistic PDE problems
◮ exp (∆tA)v can be approximated by the same Krylov spacetechniques employed in GMRES (Saad 1992)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 5 / 16
Main computational problems and solutions
◮ Exponential matrix cannot be stored for realistic PDE problems
◮ exp (∆tA)v can be approximated by the same Krylov spacetechniques employed in GMRES (Saad 1992)
◮ Krylov space dimension (and cost of time step) depend on theCourant number
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 5 / 16
Main computational problems and solutions
◮ Exponential matrix cannot be stored for realistic PDE problems
◮ exp (∆tA)v can be approximated by the same Krylov spacetechniques employed in GMRES (Saad 1992)
◮ Krylov space dimension (and cost of time step) depend on theCourant number
◮ Alternative techniques imply similar costs for large scaleproblems
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 5 / 16
Some numerical results
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 6 / 16
Some numerical results
◮ NUMA model (courtesy of F.X.Giraldo, NPS), spatialdiscretization employing CG with fifth order polynomials
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 6 / 16
Some numerical results
◮ NUMA model (courtesy of F.X.Giraldo, NPS), spatialdiscretization employing CG with fifth order polynomials
◮ Klemp-Skamarock test, Courant number approx. 23, densityfields computed by second order exponential method and BDF2at t = 400 s.
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 6 / 16
Some numerical results
◮ NUMA model (courtesy of F.X.Giraldo, NPS), spatialdiscretization employing CG with fifth order polynomials
◮ Klemp-Skamarock test, Courant number approx. 23, densityfields computed by second order exponential method and BDF2at t = 400 s.
x
z
0 0.5 1 1.5 2 2.5 3
x 104
0
1000
2000
3000
4000
5000
6000
7000
8000
9000
10000
−1 −0.5 0 0.5 1 1.5
x 10−6
x
z
0 0.5 1 1.5 2 2.5 3
x 104
0
1000
2000
3000
4000
5000
6000
7000
8000
9000
10000
−1 −0.8 −0.6 −0.4 −0.2 0 0.2 0.4 0.6 0.8 1
x 10−6
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 6 / 16
Some numerical results
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
Some numerical results
◮ ICON shallow water model, low order mimetic spatialdiscretization
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
Some numerical results
◮ ICON shallow water model, low order mimetic spatialdiscretization
◮ Test case 5 t = 360 h, ∆x ≈ 80 km, ∆t = 1 h, C ≈ 10
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
Some numerical results
◮ ICON shallow water model, low order mimetic spatialdiscretization
◮ Test case 5 t = 360 h, ∆x ≈ 80 km, ∆t = 1 h, C ≈ 10
◮ Test case 6 at t = 240 h, ∆x ≈ 80 km, ∆t = 0.5 h C ≈ 10
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
Some numerical results
◮ ICON shallow water model, low order mimetic spatialdiscretization
◮ Test case 5 t = 360 h, ∆x ≈ 80 km, ∆t = 1 h, C ≈ 10
◮ Test case 6 at t = 240 h, ∆x ≈ 80 km, ∆t = 0.5 h C ≈ 10
◮ Reference solution computed by explicit Runge Kutta methodof order 4 with ∆t = 180 s
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
Some numerical results
◮ ICON shallow water model, low order mimetic spatialdiscretization
◮ Test case 5 t = 360 h, ∆x ≈ 80 km, ∆t = 1 h, C ≈ 10
◮ Test case 6 at t = 240 h, ∆x ≈ 80 km, ∆t = 0.5 h C ≈ 10
◮ Reference solution computed by explicit Runge Kutta methodof order 4 with ∆t = 180 s
h error
LP CN EX2 EX3
Test 5 1.2e-2 9.1e-3 1.2e-3 1.1e-3
Test 6 5.9e-2 1.7e-2 3.8e-4 4.0e-4
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 7 / 16
A cost benefit analysis
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 8 / 16
A cost benefit analysis
◮ Exponential vs highorder IMEX methods
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 8 / 16
A cost benefit analysis
◮ Exponential vs highorder IMEX methods
◮ Spectral discretizationof incompressible NS -Boussinesq in sphericalgeometry (Ferran, B.,et al, JCP 2014)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 8 / 16
A cost benefit analysis
◮ Exponential vs highorder IMEX methods
◮ Spectral discretizationof incompressible NS -Boussinesq in sphericalgeometry (Ferran, B.,et al, JCP 2014)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 8 / 16
A cost benefit analysis
◮ Exponential vs highorder IMEX methods
◮ Spectral discretizationof incompressible NS -Boussinesq in sphericalgeometry (Ferran, B.,et al, JCP 2014)
10-13
10-11
10-9
10-7
10-5
10-3
10-1
10-7 10-6 10-5 10-4
ε (u)
h
a) ETDC2
ETDR2
ETDR3
ETDR4
BDF2
BDF3 BDF4
BDF5
10-13
10-11
10-9
10-7
10-5
10-3
10-1
103 104 105
ε (u)
rt
b)
ETDC2 ETDR2
ETDR3
ETDR4
BDF2 BDF3
BDF4
BDF5
BDF-VSVO
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 8 / 16
A more local approach
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 9 / 16
A more local approach
◮ PDEs of interest are local in space: physical and numericaldomain of dependence are finite
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 9 / 16
A more local approach
◮ PDEs of interest are local in space: physical and numericaldomain of dependence are finite
◮ Local problems discretized by FD, FV, FE methods yield sparsematrices
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 9 / 16
A more local approach
◮ PDEs of interest are local in space: physical and numericaldomain of dependence are finite
◮ Local problems discretized by FD, FV, FE methods yield sparsematrices
◮ Exponential of a sparse matrix is almost sparse (Iserles 2001)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 9 / 16
A more local approach
◮ PDEs of interest are local in space: physical and numericaldomain of dependence are finite
◮ Local problems discretized by FD, FV, FE methods yield sparsematrices
◮ Exponential of a sparse matrix is almost sparse (Iserles 2001)
◮ For s−banded A = (ai ,j) with |ai ,j | ≤ ρ, let exp(A) = (ei ,j).
|ei ,j | ≤( ρs
|i − j |
)
|i−j|s[
e|i−j|s −
|i−j |−1∑
k=0
(|i − j/s|)k
k!
]
≈( ρs
|i − j |
)
|i−j|s (|i − j |/s)|i−j |
|i − j |!
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 9 / 16
Application to PDE problems
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 10 / 16
Application to PDE problems
◮ Advection diffusion problem: entries of matrix ∆tA scale as
u∆t
∆x+
µ∆t
∆x2
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 10 / 16
Application to PDE problems
◮ Advection diffusion problem: entries of matrix ∆tA scale as
u∆t
∆x+
µ∆t
∆x2
◮ Example: exp(∆tA) for 1D centered finite difference advectionat Courant numbers 0.5, 5, 20
020
4060
80100
020
4060
80100
−0.4
−0.2
0
0.2
0.4
0.6
0.8
020
4060
80100
020
4060
80100
−1
−0.5
0
0.5
1
0
20
40
60
80100
020
4060
80100
−0.5
0
0.5
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 10 / 16
Application to PDE problems
◮ Advection diffusion problem: entries of matrix ∆tA scale as
u∆t
∆x+
µ∆t
∆x2
◮ Example: exp(∆tA) for 1D centered finite difference advectionat Courant numbers 0.5, 5, 20
020
4060
80100
020
4060
80100
−0.4
−0.2
0
0.2
0.4
0.6
0.8
020
4060
80100
020
4060
80100
−1
−0.5
0
0.5
1
0
20
40
60
80100
020
4060
80100
−0.5
0
0.5
◮ There is no real need to compute a global exponential matrix:Local Exponential Methods (LEM)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 10 / 16
LEM: a domain decomposition approach
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 11 / 16
LEM: a domain decomposition approach
◮ Decompose mesh in overlapping regions
M =
N⋃
i=1
Mi Mi = Di ∪ Bi
where Di non overlapping, Bi boundary buffer zones whose sizedepends on the Courant number
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 11 / 16
LEM: a domain decomposition approach
◮ Decompose mesh in overlapping regions
M =
N⋃
i=1
Mi Mi = Di ∪ Bi
where Di non overlapping, Bi boundary buffer zones whose sizedepends on the Courant number
◮ For i = 1, . . . ,N, solve local problem restricted to Mi by a localexponential method
un+1Mi
= unMi+∆tφ
(
JnMi∆t
)
f(unMi)Mi
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 11 / 16
LEM: a domain decomposition approach
◮ Decompose mesh in overlapping regions
M =
N⋃
i=1
Mi Mi = Di ∪ Bi
where Di non overlapping, Bi boundary buffer zones whose sizedepends on the Courant number
◮ For i = 1, . . . ,N, solve local problem restricted to Mi by a localexponential method
un+1Mi
= unMi+∆tφ
(
JnMi∆t
)
f(unMi)Mi
◮ Overwrite degrees of freedom belonging to Bi
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 11 / 16
LEM: cons and pros
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 12 / 16
LEM: cons and pros
◮ Overhead increases with Courant number, both forcomputation and communication...
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 12 / 16
LEM: cons and pros
◮ Overhead increases with Courant number, both forcomputation and communication...
◮ ...but should not too bad for high order methods, anisotropicmeshes and heavy physics
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 12 / 16
LEM: cons and pros
◮ Overhead increases with Courant number, both forcomputation and communication...
◮ ...but should not too bad for high order methods, anisotropicmeshes and heavy physics
◮ No global matrix to be computed, local problems can beparallelized trivially
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 12 / 16
LEM: cons and pros
◮ Overhead increases with Courant number, both forcomputation and communication...
◮ ...but should not too bad for high order methods, anisotropicmeshes and heavy physics
◮ No global matrix to be computed, local problems can beparallelized trivially
◮ For small enough Di local matrices can be stored:computational gain if Jacobian is frozen every few time stepsand in the limit of large number of advected species
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 12 / 16
A 1D numerical example
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 13 / 16
A 1D numerical example
◮ Viscous Burgers equation with periodic boundary conditions,exact solution via Cole-Hopf transformation
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 13 / 16
A 1D numerical example
◮ Viscous Burgers equation with periodic boundary conditions,exact solution via Cole-Hopf transformation
◮ Fourth order finite differences for advection, second order finitedifferences for diffusion, Courant number 15
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 13 / 16
A 1D numerical example
◮ Viscous Burgers equation with periodic boundary conditions,exact solution via Cole-Hopf transformation
◮ Fourth order finite differences for advection, second order finitedifferences for diffusion, Courant number 15
◮ Second order exponential Rosenbrock method, stored localmatrices computed without Krylov spaces
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 13 / 16
A 1D numerical example
◮ Viscous Burgers equation with periodic boundary conditions,exact solution via Cole-Hopf transformation
◮ Fourth order finite differences for advection, second order finitedifferences for diffusion, Courant number 15
◮ Second order exponential Rosenbrock method, stored localmatrices computed without Krylov spaces
0 1 2 3 4 5 6 7−0.8
−0.6
−0.4
−0.2
0
0.2
0.4
0.6
0.8
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 13 / 16
A 2D numerical example
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 14 / 16
A 2D numerical example
◮ Advection-diffusion equation with rotational velocity field
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 14 / 16
A 2D numerical example
◮ Advection-diffusion equation with rotational velocity field
◮ Monotonic finite volume method for advection, second orderfinite volume method for diffusion, Courant number 4
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 14 / 16
A 2D numerical example
◮ Advection-diffusion equation with rotational velocity field
◮ Monotonic finite volume method for advection, second orderfinite volume method for diffusion, Courant number 4
◮ Second order exponential Rosenbrock method with localmatrices computed by Krylov space techniques
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 14 / 16
A 2D numerical example
◮ Advection-diffusion equation with rotational velocity field
◮ Monotonic finite volume method for advection, second orderfinite volume method for diffusion, Courant number 4
◮ Second order exponential Rosenbrock method with localmatrices computed by Krylov space techniques
10 20 30 40 50 60 70 80 90 100
10
20
30
40
50
60
70
80
90
100
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 14 / 16
A 2D nonlinear example
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 15 / 16
A 2D nonlinear example
◮ Viscous Burgers equation
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 15 / 16
A 2D nonlinear example
◮ Viscous Burgers equation
◮ Centered finite volume method for advection, second orderfinite volume method for diffusion, anisotropic mesh withCourant number 6 in the vertical
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 15 / 16
A 2D nonlinear example
◮ Viscous Burgers equation
◮ Centered finite volume method for advection, second orderfinite volume method for diffusion, anisotropic mesh withCourant number 6 in the vertical
◮ Second order exponential Rosenbrock method with localmatrices computed by Krylov space techniques
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 15 / 16
A 2D nonlinear example
◮ Viscous Burgers equation
◮ Centered finite volume method for advection, second orderfinite volume method for diffusion, anisotropic mesh withCourant number 6 in the vertical
◮ Second order exponential Rosenbrock method with localmatrices computed by Krylov space techniques
20 40 60 80 100 120 140 160 180 200
20
40
60
80
100
120
140
160
180
200
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
20 40 60 80 100 120 140 160 180 200
20
40
60
80
100
120
140
160
180
200
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 15 / 16
Conclusions and perspectives
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16
Conclusions and perspectives
◮ Straightforward implementation of exponential methods leadsto very accurate but very costly solutions
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16
Conclusions and perspectives
◮ Straightforward implementation of exponential methods leadsto very accurate but very costly solutions
◮ For standard PDE problems, a local approximation ofexp (∆tA)v is feasible
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16
Conclusions and perspectives
◮ Straightforward implementation of exponential methods leadsto very accurate but very costly solutions
◮ For standard PDE problems, a local approximation ofexp (∆tA)v is feasible
◮ Computation of exponential matrix becomes trivially parallel
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16
Conclusions and perspectives
◮ Straightforward implementation of exponential methods leadsto very accurate but very costly solutions
◮ For standard PDE problems, a local approximation ofexp (∆tA)v is feasible
◮ Computation of exponential matrix becomes trivially parallel
◮ Computational overhead due to boundary buffer regions islimited in the case of anisotropic meshes and high order finiteelements
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16
Conclusions and perspectives
◮ Straightforward implementation of exponential methods leadsto very accurate but very costly solutions
◮ For standard PDE problems, a local approximation ofexp (∆tA)v is feasible
◮ Computation of exponential matrix becomes trivially parallel
◮ Computational overhead due to boundary buffer regions islimited in the case of anisotropic meshes and high order finiteelements
◮ Next on the to do list: use Local Exponential Methods in ahigh order FE framework and with complex forcing terms(multiple ARD with chemistry)
L. Bonaventura (MOX) Exponential methods Boulder, 8.04.2014 16 / 16