New Features of the NEQAIR Radiation Code
The longest-lived code for predicting shock layer radiation, NEQAIR, is now in its 5th decade of service. Substantial changes to the code have been made over the previous decade, the most recent report of which was at the 5th Workshop on Radiation in High Temperature Gases in 2014, for the version referred to as NEQAIR14. This paper will review some of the improvements made to the NEQAIR code since then, which is now at v15.2. Some of these features are discussed briefly below. NEQAIR15 and subsequent versions have enabled parallel evaluation of multiple lines of sight. This is accomplished by utilizing the HDF5 file format and placing multiple lines into a single file, LOS.h5, which is used for both input and output. This approach enables straightforward parallel execution both over the number of lines of sight and the number of points per line. For large problems, runtime reduces linearly with the number of nodes deployed since each line is processed independently by a subset of MPI ranks. Three applications of the multi-line solver are discussed. The first has to do with performing loosely coupled radiation-flowfield solutions. In this case the computed absorption and emission coefficients are used to evaluate the total energy absorbed or emitted at each point, allowing evaluation of the volumetric source term in the flowfield. The second computation is for obtaining heat flux from nonuniform flows, which require integration over spherical co-ordinates. These are of particular interest for evaluating radiation on the vehicle backshell. This 3D option improves the angular integration scheme and allows adaptive line selection that together reduce the number of lines required by about an order of magnitude. The final application is for remote observation, which is essentially the 3D integration problem over a small solid angle. For all three of these computations, data can be stored in the HDF5 file which allows a NEQAIR run to be restarted when it times out, or to add atmospheric absorption or instrument scan functions. An additional level of parallelism is enabled in NEQAIR15.2 using GPU routines. The GPU parallelism has realized up to 8x speed-up when running on a single core but diminishes as CPU parallelism is increased. For running multi-line simulations, it may be easier to reserve a large number of CPU nodes than to obtain the number of GPU nodes required for similar performance. A GUI, known as NEQTPY, allows for reading and creating input files, running NEQAIR, and displaying results. A significant feature of NEQTPY is the ability to perform spectral fits to data. The fits can operate on a single line spectrum (radiance vs. wavelength) or a 3D input file with multiple columns of data. Other new features include improved constants, additional species, more detailed non-Boltzmann modelling, advanced user controls, the ability to read and calculate spectra from HITRAN datafiles, photodissociation and photoionization cross-sections. A “fast” automatic grid option may reduce the size and time of spectral calculations while still maintaining good accuracy for total heat flux.