HELIOS-K: an ultrafast, open-source opacity calculator for radiative transfer

Grimm, Simon L; Heng, Kevin (2015). HELIOS-K: an ultrafast, open-source opacity calculator for radiative transfer. The Astrophysical Journal, 808(2):182.

Abstract

We present an ultrafast opacity calculator that we name HELIOS-K. It takes a line list as an input, computes the shape of each spectral line and provides an option for grouping an enormous number of lines into a manageable number of bins. We implement a combination of Algorithm 916 and Gauss-Hermite quadrature to compute the Voigt profile, write the code in CUDA and optimise the computation for graphics processing units (GPUs). We restate the theory of the k-distribution method and use it to reduce $\sim 10^5$ to $10^8$ lines to $\sim 10$ to $10^4$ wavenumber bins, which may then be used for radiative transfer, atmospheric retrieval and general circulation models. The choice of line-wing cutoff for the Voigt profile is a significant source of error and affects the value of the computed flux by $\sim 10\%$. This is an outstanding physical (rather than computational) problem, due to our incomplete knowledge of pressure broadening of spectral lines in the far line wings. We emphasize that this problem remains regardless of whether one performs line-by-line calculations or uses the k-distribution method and affects all calculations of exoplanetary atmospheres requiring the use of wavelength-dependent opacities. We elucidate the correlated-k approximation and demonstrate that it applies equally to inhomogeneous atmospheres with a single atomic/molecular species or homogeneous atmospheres with multiple species. Using a NVIDIA K20 GPU, HELIOS-K is capable of computing an opacity function with $\sim 10^5$ spectral lines in $\sim 1$ second and is publicly available as part of the Exoclimes Simulation Platform (ESP; www.exoclime.org).

Abstract

We present an ultrafast opacity calculator that we name HELIOS-K. It takes a line list as an input, computes the shape of each spectral line and provides an option for grouping an enormous number of lines into a manageable number of bins. We implement a combination of Algorithm 916 and Gauss-Hermite quadrature to compute the Voigt profile, write the code in CUDA and optimise the computation for graphics processing units (GPUs). We restate the theory of the k-distribution method and use it to reduce $\sim 10^5$ to $10^8$ lines to $\sim 10$ to $10^4$ wavenumber bins, which may then be used for radiative transfer, atmospheric retrieval and general circulation models. The choice of line-wing cutoff for the Voigt profile is a significant source of error and affects the value of the computed flux by $\sim 10\%$. This is an outstanding physical (rather than computational) problem, due to our incomplete knowledge of pressure broadening of spectral lines in the far line wings. We emphasize that this problem remains regardless of whether one performs line-by-line calculations or uses the k-distribution method and affects all calculations of exoplanetary atmospheres requiring the use of wavelength-dependent opacities. We elucidate the correlated-k approximation and demonstrate that it applies equally to inhomogeneous atmospheres with a single atomic/molecular species or homogeneous atmospheres with multiple species. Using a NVIDIA K20 GPU, HELIOS-K is capable of computing an opacity function with $\sim 10^5$ spectral lines in $\sim 1$ second and is publicly available as part of the Exoclimes Simulation Platform (ESP; www.exoclime.org).

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Item Type: Journal Article, refereed, original work 07 Faculty of Science > Institute for Computational Science 530 Physics English August 2015 23 Feb 2016 07:55 14 Feb 2018 11:13 IOP Publishing 1538-4357 Hybrid Publisher DOI. An embargo period may apply. https://doi.org/10.1088/0004-637X/808/2/182 arXiv:1503.03806v2