Efficient simulations of high-spin black holes with a new gauge
Abstract
We present a new choice of initial data for binary black hole simulations that significantly improves the efficiency of high-spin simulations. We use spherical Kerr-Schild coordinates, where the horizon of a rotating black hole is spherical, for each black hole. The superposed spherical Kerr-Schild initial data reduce the runtime by a factor of 2 compared to standard superposed Kerr-Schild for an intermediate resolution spin-0.99 binary-black-hole simulation. We also explore different variations of the gauge conditions imposed during the evolution, one of which produces an additional speed-up of 1.3.
I Introduction
The exciting era of gravitational wave astronomy started with the first detection of a gravitational wave (GW) in 2015 by the Laser Interferometer Gravitational-Wave Observatory (LIGO) [1, 2, 3, 4]. The event, named GW150914, was generated by a binary-black-hole (BBH) system. About 50 detections have been published so far [5, 6] and most of them were emitted by BBHs, including GW190521 [7], the first detection of an intermediate-mass black hole (BH).
GW detection requires accurate waveform templates to extract the astrophysical signal from the noisy data. While a full analytic solution of BBH evolution is not known, analytical approximations like the post-Newtonian method can generate approximate BBH waveforms [8]. However, such approximations fail to describe the strong-field regime as the black holes merge [8]. Numerical relativity is currently the only way to model the merger event and provide full inspiral-merger-ringdown waveforms. Comparison between these numerically informed waveforms and detected signals allows GW observatories to extract physical properties about compact objects [4, 9] and measure possible deviations from general relativity [10, 11, 12, 13].
Since the first stable BBH simulations in 2005 [14, 15, 16], numerical relativists have enlarged the parameter space of simulations to include higher spins and mass ratios [17, 18, 19, 20, 21, 22, 23, 24, 25]. Nowadays, for example, the SXS Collaboration has published BBH simulations of dimensionless spin magnitude up to 0.998 in its catalog [25]. Though all the BBH events published so far by LIGO and Virgo have effective spin smaller than 0.9 (within 90% credible intervals) [5, 6], spin is not constrained to lie in this range and there is evidence of nearly extremal-spin BHs in X-ray binaries [26, 27, 28, 29, 30]. Thus, we must have models of high-spin BBH GW events so they can be searched for in the detector data.
There are several interesting phenomena that can occur for a high-spin BBH and not for a non-spinning one. Two examples are the hangup effect [31] and the flip-flop effect [32]. The hangup effect describes how the merger is delayed or accelerated by spin-orbit coupling compared to a non-spinning BBH merger, while the flip-flop effect may reverse the spin direction of a progenitor BH by spin-spin coupling. Both effects can be exaggerated by near-extremal spins, and can only be further understood by simulations. Furthermore, high-spin simulations are needed for filling out the parameter space for surrogate models [33, 34, 35, 36] and effective-one-body models [37, 38, 39, 40]. A recent development among surrogate models is NRSur7dq4 (together with NRSur7dq4Remnant), which is trained with numerical simulations of spin up to 0.8 [41]. An instance of effective-one-body calibrations using simulations of spin up to 0.98 can be found in Ref. [42].
Unfortunately, high-spin simulations are very computationally expensive, and rapidly increase in cost as the spins are increased. For example, a 25-orbit spin-0.9 BBH simulation takes weeks to complete, while a 25-orbit spin-0.99 simulation takes months to complete. Thus, a more efficient method of performing the simulations is highly desirable. Our objective in this paper is to develop faster high-spin BBH simulations by changing gauge conditions.
All simulations in this paper were done using the spectral Einstein code (SpEC) [43]. SpEC uses the first-order generalized harmonic evolution system to simulate the spacetime [44]. Before evolving spacetime quantities, SpEC solves for the initial data for BBH evolution using the extended conformal thin-sandwich formalism [45, 46]. SpEC chooses the free data to be given by a Gaussian-weighted combination of two single BH analytic solutions [47]. A traditional choice for the single BH analytic solution is Kerr-Schild (KS), while more recently harmonic-Kerr has been used successfully [48]. Simulations starting with harmonic-Kerr initial data are up to 30% faster than ones starting with KS. However, the harmonic-Kerr initial data can only be solved for spins smaller than 0.7 [48]. Reference [49] extends harmonic-Kerr initial data to spin-0.9 BBH simulations by using a modified version of harmonic-Kerr, but the overall computational efficiency is not greatly improved compared to simulations using the KS initial data.
In this paper we develop and use several gauge conditions both in the initial data and in the evolution. We compare their stability, efficiency, and gravitational waveform output with the goal of making high-spin (dimensionless spin ) simulations cheaper. Our most successful choice of initial data reduces the cost of aligned-spin simulations by nearly a factor of 2.
The rest of this paper is organized as follows: in Sec. II, we describe the numerical methods that are crucial in SpEC BBH simulations and fundamental in the following discussion of this paper. In Sec. III, we introduce spherical Kerr-Schild as a spherical version of KS and wide Kerr-Schild as a modification of spherical Kerr-Schild that increases the coordinate separation between the inner and outer horizons. We will also briefly discuss how we delay the transition from the initial data gauge to the evolution gauge. In Sec. IV, we implement these new configurations in single BH and BBH simulations, and analyze their effect on computational cost, constraint violations, waveforms, resolution, and apparent horizons. We finally summarize the results and consider future developments in Sec. V.
Here are some conventions used in this paper. (1) Unless specified, spin refers to the dimensionless spin . Dimensionful spin refers to spin angular momentum per unit mass and is labeled by . (2) We use geometric units, i.e. . All dimensionful quantities in this paper are then equipped with units that are an integer power of , the total ADM mass of a system. For example, time and distance have units of . (3) We use letters at the beginning of the Latin alphabet () as spacetime indices, and later letters () as spatial indices. (4) We reserve symbols , , , and for spacetime metric, spatial metric, lapse, and shift.
II Numerical techniques
In this section, we provide an overview of some of the numerical methods SpEC uses. We start by briefly describing the extended conformal thin-sandwich formalism and SpEC’s choice of free data in Sec. II.1. Next, we discuss the first-order generalized harmonic system in Sec. II.2. Finally, in Sec. II.3, we briefly describe the configuration of the computational domain in SpEC.
II.1 Binary-black-hole initial data
We adopt the standard 3+1 form of the spacetime metric ,
(1) |
where is the lapse, the shift, and the spatial metric. In vacuum, the spacetime metric and its time derivative must satisfy the Hamiltonian and momentum constraints,
(2) | ||||
(3) |
where is the spatial Ricci scalar, the spatial covariant derivative, the extrinsic curvature, and the trace of the extrinsic curvature.
The spatial metric and extrinsic curvature are split using a conformal decomposition as
(4) | ||||
(5) |
where is the conformal factor, the conformal metric, and the traceless part of . is further decomposed as
(6) | ||||
(7) |
where (note that to uniquely fix [50]), and the vector gradient part is defined as
(8) |
with the covariant derivative associated with .
In the extended conformal thin-sandwich formalism, , , , and are freely specifiable. The elliptic solver in SpEC [51] computes , , and by solving
(9) | |||
(10) | |||
(11) |
where is the conformal Ricci scalar. Equations (4) and (5) are then used to compute and .
The free variables and are typically set to 0 to construct quasi-equilibrium initial data. SpEC sets the remaining free variables and using a superposition of two single BH spacetimes blended together by a Gaussian weight function [47]. We define and to refer to these quantities for a boosted spinning BH, where labels each BH. and are chosen to be [47]
(12) | ||||
(13) |
where is the 3D flat metric, is the Euclidean distance from BH , and controls the falloff of BH ’s contribution. We use equal to 3/5 of the Euclidean distance between the BBH’s L1 Lagrange point (Euclidean center-of-mass) and BH ’s center. This choice of is wider than a BH’s size but still relatively far from the companion BH.
The most common choice for the free data at each BH is Kerr-Schild (KS), though using harmonic-Kerr has much promise for low-spin binaries [48]. In this paper, we use a Kerr-Schild-like gauge where the horizon is spherical at each black hole to set the free data. We will discuss the KS and KS-like gauges in Sec. III.
II.2 Generalized harmonic evolution system
SpEC evolves the initial data using the first-order generalized harmonic (GH) system [44]. (See Refs. [52, 53, 54] for more details on the GH systems.) The coordinates (referred to as generalized harmonic coordinates) satisfy the inhomogeneous wave equation,
(14) |
where is the trace of the Christoffel symbol, and the -compatible covariant derivative. The gauge source function is any arbitrary function dependent only on and (but not derivatives of ). In these coordinates, the vacuum Einstein equations can be cast into a manifestly hyperbolic form,
(15) |
where . After expanding Eq. (15) into a first-order representation (done analogously to expanding the covariant scalar field system [55, 56]) and adding constraint damping terms (see [57, 54, 58, 14, 44] for detailed discussions on constraint damping), we arrive at the GH evolution equations implemented in SpEC,
(16) | ||||
(17) | ||||
(18) |
where , , are the three dynamical fields being evolved, , , and the constraint damping parameters, and the future-pointing unit normal to constant- spatial hypersurfaces. See the Appendix for values of , , and used in the simulations of this paper.
The simplest choice of gauge source function is the harmonic gauge, where . The harmonic gauge dates back to Einstein’s work [59] and has been an important tool in many aspects of analytical general relativity [60, 61, 62]. Unfortunately, using a harmonic gauge condition in simulations of BBH mergers leads to explosive growth of near the apparent horizons as two BHs merge [63]. To suppress such growth, SpEC adopts the damped wave gauge or damped harmonic (DH) gauge [63],
(19) | |||
(20) |
where is the Euclidean radius, and . Note that the DH gauge reduces to the harmonic gauge to machine precision for .
SpEC uses the following gauge transition from the initial gauge to the DH gauge during evolution:
(21) |
where
(22) |
Here is the start time and is the temporal width of the transition. Unless stated otherwise, we choose and . Note that this transition function is not finely tuned. It is chosen because it decays to 0 rapidly for large and has a continuous third derivative at .
II.3 Computational domain
SpEC adopts a dual-frame configuration for BBH simulations [64]. In the inertial frame, the two BHs are orbiting each other and deform as they merge. In contrast, in the grid frame, the BHs are at fixed coordinate locations and are kept approximately spherical. The two frames are related by a time-dependent analytic map determined by feedback control systems in SpEC [65].
SpEC’s domain decomposition is described in the Appendix of Ref. [66], while the adaptive mesh refinement (AMR) algorithm is described in Refs. [67, 68]. SpEC uses spherical shells around each BH. The number of spherical harmonic modes () used in the shells around BHs is a direct proxy for how the shape of each BH affects the computational cost of a simulation. High-spin BBH simulations use , which results in not only many grid points, but also close spacing between grid points. A simulation with more grid points requires more computation per time step, while a closer spacing between grid points requires a smaller time step in order to maintain stability. Both factors slow down the overall simulation. With this in mind, we seek to reduce the angular resolution needed in high-spin BBH simulations, anticipating faster simulations.
SpEC uses excision to avoid the physical singularities inside BHs. Specifically, the region within an inner boundary for each BH is excluded from the computational domain. This boundary is called an excision surface or excision boundary and lies slightly inside the apparent horizon (AH) of each BH [54, 65]. Causality prohibits any physical content in the interior region from propagating out. The excision surface has to be placed in a trapped region between the inner and outer horizons for each BH. Since the distance between the inner and outer horizons decreases as spin increases, the placement of the excision boundary becomes increasingly difficult as the spin increases. As a result, smaller time step sizes are necessary to track the apparent horizons and to keep the excision boundary inside the narrow trapped region. Thus, a gauge where horizons remain spherical for any spin should not only decrease the resolution used by AMR but also reduce the workload in tracking the apparent horizons and controlling the excision boundaries. At the outer boundary, suitable constraint-preserving boundary conditions [44] are imposed.
III New initial data and gauge conditions
We describe three modifications to SpEC’s current configuration that will be explored in this paper. The major modification is to introduce a Kerr-Schild-like gauge in the free initial data, where the horizons are spherical for any spin. We will refer to this choice as spherical Kerr-Schild. The other two modifications are variants of the spherical KS initial data. One variant increases the coordinate distance between the inner and outer horizons in spherical Kerr-Schild to construct what we refer to as the wide Kerr-Schild gauge. The other variant keeps the spherical Kerr-Schild data, but delays the transition to damped harmonic gauge during the evolution.
III.1 Spherical Kerr-Schild
The Kerr metric in KS coordinates , with spin pointing along the -axis,111For spin not along the -axis adding a 3D rotation suffices to determine the metric. mass , and angular momentum is
(23) |
where is the Minkowski metric,
(24) | ||||
(25) |
and implicitly given by
(26) |
is the radial coordinate in Boyer-Lindquist coordinates. Since we are only interested in astrophysical BHs, we restrict ourselves to . Then for any nonzero spin, there are inner and outer horizons . In the region , any object must travel radially inward, while outside this region ( or , excluding horizons), an object can travel both radially inward and outward. For high spins, the horizons become closer together and increasingly non-spherical in the KS coordinate system, requiring greater angular resolution to simulate the BHs. This suggests that we might mitigate the required resolution increase by using coordinates in which the horizons are spherical, as we now describe.

We denote the spherical KS coordinates by . These are related to the KS coordinates by
(27) | ||||
(28) | ||||
(29) |
Equation (26) describes an oblate spheroid in and is equivalent to a sphere in coordinates. That is,
(30) |
The left panel of Fig. 1 shows the inner and outer horizons in KS as solid lines, and a sample excision surface as a dashed line. The right panel of Fig. 1 shows the inner and outer horizons, and excision surface but in spherical KS coordinates instead. We will abbreviate spherical KS as SphKS hereinafter.
III.2 Wide Kerr-Schild
Recall from Sec. II.3 that as the BHs inspiral, the excision regions track the BHs. The excision boundary must be inside but outside so that all information leaves the computational domain and no boundary condition must be applied. This becomes more difficult as the spin increases, partly because the space between and decreases. We attempt to reduce the work of the control system by expanding the region between the horizons by performing a radial transformation. Note that the idea of expanding the region between horizons in the initial data is not new. For example, Ref. [69] applies a fisheye radial transformation to the quasi-isotropic coordinates to expand the horizon size. We here apply a different radial transformation to the SphKS coordinates. We refer to this gauge as wide Kerr-Schild (WKS). We continue using the notation in Sec. III.1 and denote the coordinates of WKS as {}. We introduce a new variable that is related to and choose the coordinate transformation between WKS and SphKS as
(31) | ||||
(32) | ||||
(33) |
With this convention, Eqs. (26) and (30) are equivalent to
(34) |
i.e. a sphere of radius in WKS.
Starting with SphKS, we want a radial transformation that keeps fixed but shrinks radially inward by some factor , i.e.,
(35) | ||||
(36) |
We can achieve these relations with a quadratic,
(37) |
with to ensure monotonicity, e.g., the lower bound of is for a spin-0.99 BH. This is a squeezing parameter that controls how far is pushed inwards after the transformation.
Unfortunately, this quadratic has the pathology that the metric would no longer be asymptotically flat, so we use the quadratic only near the BH, smoothly transitioning to far away from the BH. Specifically,
(38) |
where
(39) | ||||
(40) |
We write the relation as a function instead of for easier implementation in SpEC. and are parameters of the sigmoid function, controlling the center and width of transition. Theoretically, we could choose and to satisfy so that Eq. (37) holds exactly inside within numerical precision, but such combinations always result in large Jacobians. A quantity with large derivatives (and second derivatives) needs sufficiently high resolution to be resolved, which increases computational cost. In practice, because the starting point of WKS is broadening the region between and nonlinearly, we simply choose and . This combination of and maintains stable simulations without increasing computational cost too much. Figure 2 shows versus for these and .

III.3 Delayed evolution gauge transition
When studying evolutions using SphKS initial data we noticed that the apparent horizons become spheroids around when the gauge has mostly transitioned to damped harmonic. With the change to a spheroidal horizon we observe the expected increase in the required angular resolution. Since the damped harmonic (DH) condition is generally only necessary during merger, we perform simulations where we delay the transition from to in an attempt to extend how long the horizons remain (nearly) spherical. We change both and in Eq. (22) and report our results in Sec. IV.5.
IV Results
In this section, we test the new configurations described in Sec. III by evolving multiple single BH and BBH systems. In particular, we will compare the constraint violations, computational efficiency, AH shapes, total number of grid points, and waveforms from different simulations.
IV.1 Single spherical Kerr-Schild black hole
We evolve a spin-0.99 BH to time in both KS and SphKS coordinates. We keep the domain decomposition the same by using the transformation Eqs. (2729) from the SphKS domain, such that any sphere is mapped to a spheroid matching the given spin. AMR is disabled, ensuring the domain decomposition and resolution are unchanged throughout the simulations. We fix the radial resolution in both coordinates but vary the angular resolutions, represented by . The number of angular grid points is then . We investigate four single BH simulations: three in KS with and one in SphKS with .

In the top panel of Fig. 3, we show the -norm of the metric errors for all four simulations. The blue lines represent the evolution using KS coordinates, with corresponding to the solid, dashed and dash-dotted styles. The metric error decreases as the angular resolution increases, especially at early time (before ). After , the metric error approaches a error floor. This error floor appears because the numerical error gets reflected at the outer boundary and amplified when traveling inward [70].222The floor is decreased when we move the outer boundary farther out. The orange line is for the evolution using SphKS coordinates with .333Simulations in SphKS coordinates with higher ’s yield nearly the same metric errors as the curve, so they are not shown. It reaches the same error floor at late time but is at least 10 times smaller than the metric error of the KS simulation (the blue solid curve).
In the bottom panel of Fig. 3, we show the GH constraint energy for these four simulations. The constraint energy (or constraint violation) used in this paper is defined as
(41) |
where
(42) |
Here, is the 4D Kronecker delta and {, , , , } are the five constraints used in Ref. [44]. Note that our definition of is different from the one in Ref. [44]. Among the simulations using KS coordinates, the constraint violation is smaller as increases. In contrast to the metric errors, the constraint violations do not hit an error floor because of the use of a constraint-preserving boundary condition [70]. We see that the SphKS evolution has constraint violation over a factor of smaller than the evolution in KS coordinates using the same angular resolution (). Even compared to the KS case, the SphKS simulation still has a smaller constraint violation by a factor of 10.
Initial data gauge | # of orbits | |||||
---|---|---|---|---|---|---|
(0, 0, 0.9) | KS | 15.450 | 1.4095 | 5.3578 | ||
SphKS | 15.450 | 1.42 | 4.5284 | |||
(0, 0, 0.95) | KS | 11.580 | 2.0875 | 1.0650 | ||
SphKS | 11.580 | 2.1100 | 8.5921 | |||
(0, 0, 0.99) | KS | 11.577 | 2.0384 | 1.4799 | ||
SphKS | 11.577 | 2.0808 | 1.1357 |
Because the horizons are spherical in the SphKS gauge, spacetime quantities are constructed and evolved directly in spherical domains. In the KS gauge, quantities are evolved in spheroidal domains, so a spatial map converting spheroids to spheres is necessary in the spectral calculation of derivatives. The Jacobian and Hessian of this spatial map and its inverse can introduce errors. Thus, in Fig. 3, we see the single BH simulation in SphKS provides a more accurate result than in KS.
The KS simulation takes 978 CPU hours to reach , while the SphKS simulation takes 948 CPU hours on the same number of cores. However, a better comparison is to the KS case, which takes 1438 CPU hours and still has considerably larger errors. It may not be surprising that we are able to reduce the numerical error of single BH simulations by using coordinates better adapted to the geometry of the BH, but it is reassuring to have confirmation.
IV.2 Spin-0.9 binary-black-hole simulations using spherical Kerr-Schild initial data
We evolve three pairs of non-eccentric, non-precessing, equal-mass, equal-spin BBH systems, corresponding to spin 0.9, 0.95, and 0.99, all along the -axis. Each pair consists of a run with superposed KS initial data and another run with superposed SphKS initial data. They both merge after nearly the same number of orbits and at nearly the same simulation time. The initial orbital frequency and the initial rate of change of separation are tuned separately for each run, subject to a fixed initial separation . We perform this tuning by eccentricity reduction [71] to achieve a negligible eccentricity . The specific values of these parameters, including the number of orbits, are provided in Table 1. Furthermore, we simulate each BBH run at three resolutions, Lev-1, Lev-2, and Lev-3. For Lev-, the target truncation error of the AMR algorithm is .
We focus on the spin-0.9 and spin-0.99 simulations in this paper. Comparisons of CPU times and constraint energy [Eq. (41)] between the two gauges for the spin-0.9 and spin-0.99 simulations are shown in Fig. 4. Comparison of waveforms for the spin-0.9 and spin-0.99 Lev-3 simulations are shown in Fig. 5. Additionally, the CPU times444Because the number of CPUs used may vary during a simulation, CPU time is a better measure of efficiency than wallclock time and we do not include wallclock time in this paper. at the end of ringdown are recorded in Table 2. We will explain and analyze these figures and tables in greater detail.
We do not show figures for the spin-0.95 case because the spin-0.95 and spin-0.99 simulations share the same qualitative behavior. However, we still provide the CPU times of the spin-0.95 case in Table 2 to show the trend that using SphKS accelerates BBH simulations more significantly as the spin increases.
Spin | Lev | [hr] | [hr] | |
---|---|---|---|---|
0.9 | 1 | 10582 | 8307 | 0.785 |
2 | 16957 | 14628 | 0.863 | |
3 | 23369 | 21272 | 0.910 | |
0.95 | 1 | 7318 | 6778 | 0.926 |
2 | 10273 | 9094 | 0.885 | |
3 | 22697 | 13104 | 0.577 | |
0.99 | 1 | 14651 | 13147 | 0.897 |
2 | 28764 | 18312 | 0.637 | |
3 | 70709 | 39583 | 0.560 |








IV.2.1 Efficiency and constraint energy
The top left panel of Fig. 4 shows the CPU time ratio as a function of simulation time for the spin-0.9 BBH simulations, where and are the CPU times of SphKS and KS runs. A ratio smaller than 1 means SphKS is more efficient than KS. The smaller the ratio the more efficient the SphKS simulation is. Since all curves in the top left panel are below 1, the performance of SphKS runs is overall better. The ratio at the end of the simulation (after ringdown) is listed in Table 2, together with the CPU times. This CPU time ratio ranges from 0.79 to 0.91, which means a significant improvement for a BBH simulation by switching to the SphKS initial data.
The bottom left panel shows the constraint energy for both gauges. Solid lines stand for KS while dashed lines for SphKS. Curves of the same resolution (Lev) are plotted in the same color. We see that the constraint energy is similar for the same Lev between the SphKS and KS initial data. This is because AMR adjusts the target truncation error to control the constraint violations. What the top and bottom panels together show is that the SphKS initial data allows us to perform simulations with the same constraint violations at a reduced computational cost. Furthermore, we observe exponential convergence of the constraint energy between and merger. Before , the curves in different Levs overlap, and their values are much greater than the later portion. This is because the AMR algorithm is disabled in the wave zone before to avoid using excessive computational resources to resolve the junk radiation.
IV.2.2 Waveforms
We extract the strain on multiple spherical surfaces of Euclidean radii and extrapolate to as a function of retarded time [72, 73, 74, 75, 76]. Note that is always center-of-mass-corrected in this paper. We show the and modes of , denoted as and , in the first row of Fig. 5. Only the waveforms of the Lev-3 simulations are plotted. In each graph, the blue curve is data from the KS simulation and the orange curve from the SphKS simulation.
The top left diagram of Fig. 5 shows the real part of and . For clearer comparison, these waveforms are both time-shifted and phase-shifted. Within the range of the retarded time , we choose the point at which reaches its maximum and shift the horizontal axis by . We then multiply each waveform by a phase such that the waveform is real and positive at . In other words, after time-shifting and phase-shifting, is peaked (but not necessarily ) at , and both and have zero phase at time . This is similar to the procedure in Ref. [48]. The waveforms of the KS and SphKS simulations overlap very well after the junk radiation, , except for some deviations after during the ringdown phase.
We quantify the similarity between two waveforms by the mismatch ,
(43) |
where and are waveforms in a specific mode. and are parameters in phase- and time-shifting to maximize the overlap between two waveforms. The inner product is defined as
(44) |
where * denotes complex conjugation. The mismatch is calculated for each mode ( or ) over the time domain, unlike Ref. [25], which considers the strain before mode decomposition and calculates the inner product over the frequency domain. We choose to be after the earliest time in KS Lev-3 waveform and . For both the and modes, the mismatch between KS Lev-2 and KS Lev-3 are at the same level as the mismatch between KS Lev-3 and SphKS Lev-3.555For the mode, the mismatch between KS Lev-2 and KS Lev-3 is , while the mismatch between KS Lev-3 and SphKS Lev-3 is . For the mode, the mismatch between KS Lev-2 and KS Lev-3 is , while the one between KS Lev-3 and SphKS Lev-3 is . Thus, the waveforms after junk radiation passes are in good agreement between KS and SphKS.
The high-frequency fluctuation within is the transient gravitational perturbation called junk radiation. The origin of the junk radiation is the initial data not representing the true spacetime snapshot of a BBH system in quasi-equilibrium. The top right diagram of Fig. 5 shows and during the junk phase. This waveform is not time-shifted because we only care about the qualitative comparison of junk radiation between the two gauges. Note that the retarded time can extend to negative values, and the waveform on this negative time axis corresponds to perturbations in the wave zone initial data. Both the KS and SphKS gauges produce roughly the same amount of junk radiation in the mode, while SphKS produces more than KS in the mode.
IV.3 Spin-0.99 binary-black-hole simulations using spherical Kerr-Schild initial data
We omit a discussion of the spin-0.95 BBH data and jump directly to the spin-0.99 BBH case because the efficiency and waveform comparisons are very similar.
IV.3.1 Efficiency, constraint energy and waveforms
The top right panel of Fig. 4 shows the CPU time ratio of the SphKS initial data to the KS initial data, while the bottom right panel of Fig. 4 shows the constraint energy at different resolutions for the two gauges. The curves and axes are labeled the same as for the spin-0.9 BBH case. Overall, the behavior of the CPU time ratio and constraint violations are similar to what we observed for the spin-0.9 simulations. Specifically, the constraint violations for the SphKS and KS initial data are very similar, while the simulations using SphKS initial data are cheaper than those using KS initial data. The Lev-3 spin-0.99 SphKS simulation is almost two times faster than the KS simulation.
The bottom row in Fig. 5 shows the waveforms of the spin-0.99 BBH simulations for the KS (blue) and SphKS (orange) initial data. The waveforms of the two gauges overlap well in both modes and , except for some deviation at later times during ringdown. The mismatch [Eq. (43)] between KS Lev-3 and SphKS Lev-3 is also at the same order as between KS Lev-2 and Lev-3 for each mode. We note that both gauges have roughly the same amount (but not the exact same form) of junk radiation in both the and modes, in contrast with the spin-0.9 case, where the SphKS gauge mode had more junk radiation. The waveforms for both the SphKS and KS initial data being very similar and the SphKS initial data simulation being nearly twice as fast for higher resolutions demonstrate the advantage of using SphKS initial data for accurate and efficient high-spin BBH simulations.
IV.3.2 Apparent horizon analysis
SpEC decomposes the computational domain into multiple subdomains (Sec. II.3). There is an innermost spherical shell subdomain that encircles each BH and contains the BH’s apparent horizon (AH). The shape of the AH needs to be resolved, so we expect more spherical AHs to require lower resolutions. For concreteness, we will focus on the AHs of the Lev-3 spin-0.99 BBH simulations.
Figure 6 shows the AH profile of a progenitor-BH at two different times in the SphKS run. The left picture is at the beginning of evolution () and clearly shows that the horizon is spherical in the SphKS gauge. At , the simulation starts to undergo a smooth transition from the quasi-equilibrium gauge to damped harmonic (DH) gauge, with the temporal width (Sec. II.2). The right picture shows the AH at , at which point the AH is already non-spherical. In addition to the images of the AH, we record the angular resolution used to construct AHs by the AH finder [65], in the top panel of Fig. 7. The graph shows the angular resolution of Lev-3 runs in both gauges for . Because the AH in KS gauge starts as a distorted spheroid, the angular resolution in the KS simulation stays at immediately after the start and throughout the DH gauge transition. This suggests that the AH in the DH gauge is close to the spheroidal AH in the KS gauge. In the SphKS gauge, starts from a relatively low value (13) because of the spherical shape of the AH in the initial data and then climbs to a constant value throughout the DH gauge transition. This behavior of matches our expectation.




Although the AHs quickly lose their spherical shape, we have found that the SphKS increases the speed of the simulation far beyond (see the top right panel of Fig. 4 and also the top left panel of Fig. 8). In the bottom panel of Fig. 7 we show the number of grid points in the innermost shell surrounding each BH. We see that even though the angular resolution used by the AH finder is nearly identical once the transition to DH gauge is complete, the number of points used near the BHs is significantly lower for the SphKS initial data all the way to .




IV.3.3 Speed-up analysis
Speeding-up the simulations significantly while keeping constraint violations and waveforms almost the same is encouraging. In this section we identify the contributions that lead to such a large speed-up. It is almost impossible to quantitatively decompose the speed-up into various algorithms’ contributions, but we may still obtain some qualitative insight from several relevant diagnostics of the evolution.
Figure 8 shows four such quantities. They are the simulation rate (, i.e., the derivative of CPU time with respect to simulation time), total number of grid points, minimum grid spacing, and time step size. There are six curves in each graph, representing various Levs and gauges. Since most of the speed-up occurs before the merger (), we restrict our plots to .
The earlier graph of CPU time ratio versus simulation time in Fig. 4 provides an overall comparison of computational cost. By contrast, an instantaneous comparison of efficiency between gauges can be quantified by the derivative , as shown in the top left panel of Fig. 8. A slower simulation results in a higher curve in this graph, since more CPU time is required to compute a unit of simulation time. Given a fixed Lev, the curve for KS almost always lies above the one for SphKS, so a SphKS run is faster than a KS run not only collectively, but also at almost every moment. The difference in between gauges is larger as Lev increases, meaning that the SphKS gauge is especially useful if both high spin and high accuracy are desired, as seen previously in Fig. 4. We note that along the solid purple curve (KS Lev-3) in Fig. 8 the value of stays nearly constant after the beginning, but then plummets to the level of the dashed purple curve (SphKS Lev-3) at . This drop is related to the AMR algorithm (Sec. II.3) rearranging the shells near the BHs. Attempts to replicate this domain configuration at earlier times led to unstable simulations. We will continue observing this behavior at throughout the next several graphs.
To better understand the source of the speed-up that the SphKS initial data provides, let us first look at the number of grid points used by the SphKS and KS simulations as a function of time. The top right panel of Fig. 8 shows the number of grid points as a function of time for both gauges and all three resolutions. While the Lev-1 and Lev-3 SphKS simulations have fewer grid points than KS, the trends of their curves do not match the curves. For example, the number of grid points for the Lev-3 simulations approach each other before , while is still much smaller for the SphKS simulation. More surprisingly, the Lev-2 SphKS simulation uses more total grid points than the Lev-2 KS simulation but still has a smaller . These differing trends between simulation rate and number of grid points suggests that there is another major contributing factor responsible for the observed speed-up.
Next we look at the Courant–Friedrichs–Lewy condition [77], by which the time step size is adjusted according to the spacing between grid points. If the spacing is narrower, then the time step size must be smaller, making the simulation slower. We plot the minimum grid spacing in the bottom left and the time step size in the bottom right panel of Fig. 8. We see that the minimum grid spacing for SphKS is larger than for KS in the first several hundred , except for the region . However, they both reach the same level later in the evolution for all Levs. The bottom right panel of Fig. 8 shows that the SphKS time step size is generally larger than the KS time step. Again, the difference is also more noticeable in the first several hundred .
Focusing on the Lev-3 curves we see that SphKS has a larger minimum grid spacing, a larger time step size and faster simulation rate than KS in . We also check that the minimum grid spacing is always located in the innermost shells near BHs in this time range for both KS and SphKS simulations. Around in the KS simulation AMR changes the grid, resulting in fewer grid points in the innermost shells (see Fig. 7) and a minimum grid spacing, and a time step comparable to the SphKS case. At this point, the SphKS and KS simulations also have approximately the same . This leads us to conclude that the more sparse distribution of grid points near the BHs in a simulation with SphKS initial data is the major contributing factor to the speed-up.
IV.4 Binary-black-hole simulations using wide Kerr-Schild initial data
We evolve a 25-orbit, non-precessing, non-eccentric, equal-mass, spin-0.9 BBH system using the wide Kerr-Schild (WKS) gauge (Sec. III.2) with and (recall that corresponds to the SphKS gauge). The parameters of initial setup are listed in Table 3. Their values are close to the previous spin-0.9 SphKS BBH run, so we compare these three simulations together.
Initial gauge | ||||
---|---|---|---|---|
SphKS | 15.450 | 0.0142 | 4.53 | |
WKS b0.95 | 15.452 | 0.0142 | 4.56 | |
WKS b0.9 | 15.455 | 0.0142 | 4.51 |
We find that the WKS simulations share most of the properties of the SphKS simulations. Namely, there is no consistent improvement in either CPU efficiency or constraint energy by switching from SphKS to WKS. Both the strain modes Re and Re from different gauges overlap well. However, the amount of junk radiation significantly increases when . We find that the junk is approximately doubled when compared to . Therefore, we do not recommend the use of WKS for evolutions of high-spin BBHs.
IV.5 Binary-black-hole simulations with delayed evolution gauge transition
In this section, we simulate BBH systems in SphKS where we delay the transition from the initial spherical gauge to damped harmonic (DH) gauge with the hope that this further improves efficiency. We choose and [see Eq. (22) for the definitions of and ]. All of these cases share the same initial parameters with the non-delayed-transition SphKS spin-0.9 run in Table 1. All runs have negligible eccentricity (), and we only focus on the highest resolution, Lev-3.
IV.5.1 Efficiency and constraint energy


We plot the CPU time ratio in the top panel of Fig. 9. , , and are the CPU times of simulations with the KS initial data, the SphKS initial data without delay, and the SphKS initial data with delayed transition of various widths . A clear improvement is seen in all delayed simulations, with the average reduction in final runtime being compared to SphKS and compared to KS.
The temporal part of the DH gauge transition function has a discontinuous fourth derivative at [Eq. (22)], which the high-order methods employed by SpEC may be sensitive to. The fourth derivative is proportional to , so a narrower width introduces a larger discontinuity in the derivative, which can lead to larger numerical errors. This feature shows up in the constraint energy plot (the bottom panel of Fig. 9). All runs have the same order of constraint violations before 4000, but later the curves of delayed runs abruptly jump up by several orders of magnitude at 4000. The jump in the constraint energy is larger as the temporal width gets narrower since the derivative is larger and the gauge transition is steeper. This graph also suggests that only a width of at least 400 would be acceptable for production BBH simulations.
IV.5.2 Waveforms


The large jump in the constraint violations at may result in unphysical effects in the waveforms. We plot in the top panel of Fig. 10 on the interval . We see that large oscillations appear at in the delayed transition waveforms that are absent in the non-delayed run. The amplitude of the oscillations decreases with increasing width. This is not surprising considering that the discontinuity in the fourth derivative of the roll-off function decreases as . Note that the waveforms in different gauges overlap before the transition, suggesting that the oscillations are an artifact of the non-smooth gauge transition.




To better see how the fluctuations depend on the transition width , we calculate the relative difference in of the three delayed runs compared to the non-delayed one, in the bottom panel of Fig. 10. The difference is in general smaller as the transition width increases, which is reasonable since a narrower transition induces a larger discontinuity in the fourth derivatives. For example, the width-50 curve has relative differences at the order of , while the width-400 differences are .
To better understand how smoothness in a delayed gauge transition function affects a waveform, we simulate the same BBH system as above with SphKS initial data but with a different gauge transition temporal function. Instead of Eq. (22), we use
(45) |
This temporal function is smooth after the start of a simulation and delays the DH gauge until [when ]. The waveforms and have relative difference (compared to the non-delayed SphKS simulation) at the same order as the SphKS simulation. We find that the high-frequency noise in the waveforms is greatly reduced, but not completely eliminated. Thus, the smoothness in the temporal transition of the evolution gauge is a factor causing the high-frequency fluctuation, but not the main factor.
Given the growth in constraint violations and the appearance of fluctuations in the waveforms, we do not recommend delaying the gauge transition despite the significant speed-up of the simulations.
IV.5.3 Speed-up analysis
In this section, we examine the mechanism of the speed-up from delaying the DH gauge transition.We consider three spin-0.9 Lev-3 simulations: KS initial data, SphKS initial data without delay, and SphKS initial data with the delayed gauge transition of width . Figure 11 shows the simulation rate , time step size, angular resolution used by the AH finder, and total number of grid points in these three simulations. The blue curves represent the simulation with the KS initial data, the orange curves are for the non-delayed SphKS simulation, and the purple ones for the delayed transition SphKS simulation.
The graph of simulation rate (the top left panel of Fig. 11) indicates that the delayed SphKS simulation is more efficient than the other two gauges at almost any time, especially before the transition time . The top right panel of Fig. 11 shows that the time step sizes for the different gauges are nearly equal, so the time step has no contribution to the speed-up. In the bottom left panel of Fig. 11, we see that the angular resolution in the delayed SphKS simulation is initially relatively low but then climbs to the level of the other two gauges near . This is expected because the AH is spherical in the SphKS coordinates but highly non-spherical in the DH gauge, and delaying the transition keeps the AH in a nearly spherical shape until . The bottom right graph of Fig. 11 shows that the total number of grid points in the delayed SphKS run is considerably smaller than the other two gauges, especially before . Note that the number of grid points for delayed SphKS is 19%–32% smaller than the other two gauges when , which is comparable to the overall efficiency improvement (). Thus, in a SphKS simulation, delaying the DH gauge transition accelerates the computation by substantially reducing the number of grid points.
V Conclusion
In this paper, we develop new gauge conditions for BHs with the goal of reducing the computational cost of high-spin BBH simulations. We present several different attempts, among which the most promising is the use of spherical Kerr-Schild, where the horizons of a rotating BH are spherical. For single BH evolutions using spherical Kerr-Schild, we find a factor of 10 reduction in the metric error and 1000 in the constraint energy, as compared to Kerr-Schild with the same resolution. For BBH evolutions, we see efficiency improvement with equal accuracy. In general, we find that the speed-up is greater for simulations with stricter truncation error tolerances and higher spin. Specifically, we observe an impressive factor of 2 reduction in CPU time for the spin-0.99 Lev-3 (standard resolution of SXS BBH simulations) case. This new gauge condition will also reduce the computational cost of extending BBH simulations to higher spins (e.g., ), allowing waveform catalogs and models (such as surrogates [33, 34, 35, 36]) tuned to numerical relativity to cover a larger and denser portion of the mass-spin parameter space with significantly reduced cost.
While the main focus of this paper has been improvements by changing the initial data, we also performed some experiments where we delay the transition from the initial data gauge to the damped harmonic gauge used in the evolution. The goal is to keep the horizons spherical for longer so that this further reduces the computational cost of the simulations. In Sec. IV.5, we find that imposing a spherical gauge condition during the evolution will produce an additional speed-up by a factor of 1.3. However, one must be careful not to introduce artifacts into the waveforms when delaying the gauge transition.
Inspired by the benefit of delaying the evolution gauge, we expect a dynamical spherical gauge condition to be very useful for simulating high-spin BBHs. As future work, one can develop a spherical version of damped harmonic gauge, where the horizons of BHs can remain (nearly) spherical during the whole evolution. As far as the initial data gauge is concerned, one may consider blending the spherical Kerr-Schild and harmonic-Kerr spatially, or even developing a spherical version of harmonic-Kerr with the hope to reduce both the computational cost and junk radiation. Nonetheless, solely changing the initial data as described in this paper is certainly worthwhile.
Acknowledgments
We thank Michael Boyle, Dante Iozzo, and Vijay Varma for useful discussions. Computations were performed with the High Performance Computing Center and the Wheeler cluster at Caltech. Computations were also conducted on the Frontera computing project at the Texas Advanced Computing Center. This work was supported in part by the Sherman Fairchild Foundation and by NSF Grants No. PHY-2011961, No. PHY-2011968, and No. OAC-1931266 at Caltech, and NSF Grants No. PHY-1912081 and No. OAC-1931280 at Cornell.
*
Appendix A , and used in simulations
SpEC evolves the spacetime of BHs in the first order GH formalism [44], which is given by Eqs. (1618). We consider four constraint damping parameters in this formalism for this paper, namely , and . These parameters have been used to simulate BHs in previous papers. The quantities , , and are the same as those in Refs. [44, 68]. These three parameters are set to nonzero values by default in a SpEC BBH simulation. in this paper is different from the used in Ref. [44]. Instead, our is the same as the parameter used in Ref. [58]. The authors of Ref. [58] set this parameter to 0 by default, while we explore the possibility of a nonzero for single BH simulations in this paper.
We here provide the expressions of , and used for simulations in this paper. Specifically, for single BH simulations, we choose
(46) | ||||
(47) | ||||
(48) |
where is the total ADM mass of the system as usual. and are spatially varying and depend on , the Euclidean distance from the origin. We choose the origin at the geometric center of a single BH. The choice is adopted in the simulations of Ref. [44] as well, which makes the GH system Eqs. (1618) linearly degenerate. Note that , have dimension while , are dimensionless.
The expressions of the parameters for BBHs are more complicated than for single BHs. In the ringdown phase, we use
(49) | ||||
(50) | ||||
(51) |
In the inspiral phase, we use
(52) | ||||
(53) | ||||
(54) |
where are the initial Christoudoulou masses [78] of BH , and are the Euclidean distances from BH . is the initial separation between the two BHs, used in Tables I and III. is equivalent to the (dimensionless) expansion factor used in Refs. [64, 65]. is tuned by the control system in SpEC [65], so it is time-dependent. The three distance variables , , and are measured in the distorted frame of a BBH simulation. The distorted frame is an intermediate frame between the grid frame and the inertial frame, and we point interested readers to Ref. [65] for details on the relation among these frames. Note that we do not specify the measurement frame of for a single BH simulation, because the grid, the distorted and the inertial frames are identical for single BHs in this paper.
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