Resolving the most fundamental questions in cosmology requires simulations that match the scale, fidelity, and physical complexity demanded by next-generation sky surveys. To achieve the realism needed for this critical scientific partnership, detailed gas dynamics must be treated self-consistently with gravity for end-to-end modeling of structure formation. Exascale computing enables simulations that span survey-scale volumes while incorporating key astrophysical processes that shape complex cosmic structures. We present results from CRK-HACC, a cosmological hydrodynamics code built for extreme scalability. Using separation-of-scale techniques, GPU-resident tree solvers, in situ analysis pipelines, and multi-tiered I/O, CRK-HACCexecuted Frontier-E: a four trillion particle full-sky simulation, over an order of magnitude larger than previous efforts. The run achieved 513.1 PFLOPs peak performance, processing 46.6 billion particles per second and writing more than 100 PB of data in just over one week of runtime. Frontier-E marks a significant advance in predictive modeling for next-generation cosmological science.

Large-scale simulations can produce hundreds of terabytes to petabytes of data, complicating and limiting the efficiency of workflows. Traditionally, outputs are stored on the file system and analyzed in post-processing. With the rapidly increasing size and complexity of simulations, this approach faces an uncertain future. Trending techniques consist of performing the analysis in-situ, utilizing the same resources as the simulation, and/or off-loading subsets of the data to a compute-intensive analysis system. We introduce an analysis framework developed for HACC, a cosmological N-body code, that uses both in-situ and co-scheduling approaches for handling petabyte-scale outputs. We compare different analysis set-ups ranging from purely off-line, to purely in-situ to in-situ/co-scheduling. The analysis routines are implemented using the PISTON/VTK-m framework, allowing a single implementation of an algorithm that simultaneously targets a variety of GPU, multi-core, and many-core architectures.

Supercomputing is evolving towards hybrid and accelerator-based architectures with millions of cores. The HACC (Hardware/Hybrid Accelerated Cosmology Code) framework exploits this diverse landscape at the largest scales of problem size, obtaining high scalability and sustained performance. Developed to satisfy the science requirements of cosmological surveys, HACC melds particle and grid methods using a novel algorithmic structure that flexibly maps across architectures, including CPU/GPU, multi/many-core, and Blue Gene systems. We demonstrate the success of HACC on two very different machines, the CPU/GPU system Titan and the BG/Q systems Sequoia and Mira, attaining unprecedented levels of scalable performance. We demonstrate strong and weak scaling on Titan, obtaining up to 99.2% parallel efficiency, evolving 1.1 trillion particles. On Sequoia, we reach 13.94 PFlops (69.2% of peak) and 90% parallel efficiency on 1,572,864 cores, with 3.6 trillion particles, the largest cosmological benchmark yet performed. HACC design concepts are applicable to several other supercomputer applications.

Remarkable observational advances have established a compelling cross-validated model of the Universe. Yet, two key pillars of this model -- dark matter and dark energy -- remain mysterious. Next-generation sky surveys will map billions of galaxies to explore the physics of the 'Dark Universe'. Science requirements for these surveys demand simulations at extreme scales; these will be delivered by the HACC (Hybrid/Hardware Accelerated Cosmology Code) framework. HACC's novel algorithmic structure allows tuning across diverse architectures, including accelerated and multi-core systems. On the IBM BG/Q, HACC attains unprecedented scalable performance - currently 6.23 PFlops at 62% of peak and 92% parallel efficiency on 786,432 cores (48 racks) - at extreme problem sizes with up to almost two trillion particles, larger than any cosmological simulation yet performed. HACC simulations at these scales will for the first time enable tracking individual galaxies over the entire volume of a cosmological survey.