Over the last nearly 20 years, lossy compression has become an essential aspect of HPC applications’ data pipelines, allowing them to overcome limitations in storage capacity and bandwidth and, in some cases, increase computational throughput and capacity. However, with the adoption of lossy compression comes the requirement to assess and control the impact lossy compression has on scientific outcomes. In this work, we take a major step forward in describing the state of practice and by characterizing workloads. We examine applications’ needs and compressors’ capabilities across 9 different supercomputing application domains. We present 24 takeaways that provide best practices for applications, operational impacts for facilities achieving compressed data, and gaps in application needs not addressed by production compressors that point towards opportunities for future compression research.

We present the design and scalable implementation of an exascale climate emulator for addressing the escalating computational and storage requirements of high-resolution Earth System Model simulations. We utilize the spherical harmonic transform to stochastically model spatio-temporal variations in climate data. This provides tunable spatio-temporal resolution and significantly improves the fidelity and granularity of climate emulation, achieving an ultra-high spatial resolution of $0.034^{\circ}(\sim 3.5 \mathbf{~ k m})$ in space. Our emulator, trained on 318 billion hourly temperature data points from a 35 -year and 31 billion daily data points from an 83-year global simulation ensemble, generates statistically consistent climate emulations. We extend linear solver software to mixed-precision arithmetic GPUs, applying different precisions within a single solver to adapt to different correlation strengths. The PaRSEC runtime system supports efficient parallel matrix operations by optimizing the dynamic balance between computation, communication, and memory requirements. Our BLAS3-rich code is optimized for systems equipped with four different families and generations of GPUs, scaling well to achieve 0.976 EFlop/s on 9, 025 nodes (36,100 AMD MI250X multichip module (MCM) GPUs) of Frontier (nearly full system), 0.739 EFlop/s on 1,936 nodes (7,744 Grace-Hopper Superchips (GH200)) of Alps, 0.243 EFlop/s on 1,024 nodes (4,096 A100 GPUs) of Leonardo, and 0.375 EFlop/s on 3,072 nodes (18,432 V100 GPUs) of Summit.

Data visualization is typically a critical component of post-processing analysis workflows for floating-point output data from large simulation codes, such as global climate models. For example, images are often created from the raw data as a means for evaluation against a reference dataset or image. While the popular Structural Similarity Index Measure (SSIM) is a useful tool for such image comparisons, generating large numbers of images can be costly when simulation data volumes are substantial. In fact, computational cost considerations motivated our development of an alternative to the SSIM, which we refer to as the Data SSIM (DSSIM). The DSSIM is conceptually similar to the SSIM, but can be applied directly to the floating-point data as a means of assessing data quality. We present the DSSIM in the context of quantifying differences due to lossy compression on large volumes of simulation data from a popular climate model. Bypassing image creation results in a sizeable performance gain for this case study. In addition, we show that the DSSIM is useful in terms of avoiding plot-specific (but data-independent) choices that can affect the SSIM. While our work is motivated by and evaluated with climate model output data, the DSSIM may prove useful for other applications involving large volumes of simulation data.

Output data from modern Earth system model simulations are consuming increasingly massive amounts of storage resources, and storing these climate model data is not economically sustainable. Previous works have motivated lossy compression as a potential solution, which achieves greater compression ratios than lossless compression. This further reduction comes at the cost of a loss of information, and therefore, care must be taken to avoid introducing artifacts in the data that could affect scientific conclusions. In this paper we introduce a Python package designed to aid in the analysis of differences in large spatio-temporal datasets, such as those produced by global climate models. While the new package is agnostic to the source of the differences, our motivation is to enable climate scientists to more easily assess the effects of lossy data compression by visualizing and computing derived spatial-temporal quantities that compare lossily compressed datasets to the original dataset. Because Python is quickly becoming the tool of choice for scientific data analysis in the geoscience community, this new package makes use of the Python software stack in Pangeo (an active NSF-funded community platform for Big Data geoscience). Interoperability with other Pangeo software tools means that the new package easily integrates into climate scientists' post-processing and analysis workflows, which we hope will facilitate the adoption of lossy compression into the climate modeling community.

Large-scale simulation codes that model complicated science and engineering applications typically have huge and complex code bases. For such simulation codes, where bit-for-bit comparisons are too restrictive, finding the source of statistically significant discrepancies (e.g., from a previous version, alternative hardware or supporting software stack) in output is non-trivial at best. Although there are many tools for program comprehension through debugging or slicing, few (if any) scale to a model as large as the Community Earth System Model (CESM#8482;), which consists of more than 1.5 million lines of Fortran code. Currently for the CESM, we can easily determine whether a discrepancy exists in the output using a by now well-established statistical consistency testing tool. However, this tool provides no information as to the possible cause of the detected discrepancy, leaving developers in a seemingly impossible (and frustrating) situation. Therefore, our aim in this work is to provide the tools to enable developers to trace a problem detected through the CESM output to its source. To this end, our strategy is to reduce the search space for the root cause(s) to a tractable size via a series of techniques that include creating a directed graph of internal CESM variables, extracting a subgraph (using a form of hybrid program slicing), partitioning into communities, and ranking nodes by centrality. Runtime variable sampling then becomes feasible in this reduced search space. We demonstrate the utility of this process on multiple examples of CESM simulation output by illustrating how sampling can be performed as part of an efficient parallel iterative refinement procedure to locate error sources, including sensitivity to CPU instructions. By providing CESM developers with tools to identify and understand the reason for statistically distinct output, we have positively impacted the CESM software development cycle and, in particular, its focus on quality assurance.

Abstract Applying lossy data compression to climate model output is an attractive means of reducing the enormous volumes of data generated by climate models. However, because lossy data compression does not exactly preserve the original data, its application to scientific data must be done judiciously. To this end, a collection of measures is being developed to evaluate various aspects of lossy compression quality on climate model output. Given the importance of data visualization to climate scientists interacting with model output, any suite of measures must include a means of assessing whether images generated from the compressed model data are noticeably different from images based on the original model data. Therefore, in this work we conduct a forced‐choice visual evaluation study with climate model data that surveyed more than one hundred participants with domain relevant expertise. In addition to the images created from unaltered climate model data, study images are generated from model data that is subjected to two different types of lossy compression approaches and multiple levels (amounts) of compression. Study participants indicate whether a visual difference can be seen, with respect to the reference image, due to lossy compression effects. We assess the relationship between the perceptual scores from the user study to a number of common (full reference) image quality assessment (IQA) measures, and use statistical models to suggest appropriate measures and thresholds for evaluating lossily compressed climate data. We find the structural similarity index (SSIM) to perform the best, and our findings indicate that the threshold required for climate model data is much higher than previous findings in the literature.

High-resolution climate simulations are increasingly in demand and require tremendous computing resources. In the Community Earth SystemModel (CESM), the Parallel Ocean Model (POP) is computationally expensive for high-resolution grids (e.g., 0.1°) and is frequently the least scalable component of CESM for certain production simulations. In particular, the modified Preconditioned Conjugate Gradient (PCG), used to solve the elliptic system of equations in the barotropic mode, scales poorly at the high core counts, which is problematic for high-resolution simulations. In this work, we demonstrate that the communication costs in the barotropic solver occupy an increasing portion of the total POP execution time as core counts are increased. To mitigate this problem, we implement a preconditioned Chebyshev-type iterative method in POP (called P-CSI), which requires far fewer global reductions than PCG. We also develop an effective block preconditioner based on the Error Vector Propagation Method to attain a competitive convergence rate for P-CSI. We demonstrate that the improved scalability of P-CSI results in a 5.2x speedup of the barotropic mode in high-resolution POP on 16,875 cores, which yields a 1.7x speedup of the overall POP simulation. Further, we ensure that the new solver produces an ocean climate consistent with the original one via an ensemble-based statistical method.

High-resolution climate simulations require tremendous computing resources and can generate massive datasets. At present, preserving the data from these simulations consumes vast storage resources at institutions such as the National Center for Atmospheric Research (NCAR). The historical data generation trends are economically unsustainable, and storage resources are already beginning to limit science objectives. To mitigate this problem, we investigate the use of data compression techniques on climate simulation data from the Community Earth System Model. Ultimately, to convince climate scientists to compress their simulation data, we must be able to demonstrate that the reconstructed data reveals the same mean climate as the original data, and this paper is a first step toward that goal. To that end, we develop an approach for verifying the climate data and use it to evaluate several compression algorithms. We find that the diversity of the climate data requires the individual treatment of variables, and, in doing so, the reconstructed data can fall within the natural variability of the system, while achieving compression rates of up to 5:1.

Now that the performance of individual cores has plateaued, future supercomputers will depend upon increasing parallelism for performance. Processor counts are now in the hundreds of thousands for the largest machines and will soon be in the millions. There is an urgent need to model application performance at these scales and to understand what changes need to be made to ensure continued scalability. This paper considers algebraic multigrid (AMG), a popular and highly efficient iterative solver for large sparse linear systems that is used in many applications. We discuss the challenges for AMG on current parallel computers and future exascale architectures, and we present a performance model for an AMG solve cycle as well as performance measurements on several massively-parallel platforms.

Algebraic multigrid (AMG) is a popular solver for large-scale scientific computing and an essential component of many simulation codes. AMG has shown to be extremely efficient on distributed-memory architectures. However, when executed on modern multicore architectures, we face new challenges that can significantly deteriorate AMG's performance. We examine its performance and scalability on three disparate multicore architectures: a cluster with four AMD Opteron Quad-core processors per node (Hera), a Cray XT5 with two AMD Opteron Hex-core processors per node (Jaguar), and an IBM Blue Gene/P system with a single Quad-core processor (Intrepid). We discuss our experiences on these platforms and present results using both an MPI-only and a hybrid MPI/OpenMP model. We also discuss a set of techniques that helped to overcome the associated problems, including thread and process pinning and correct memory associations.

Eigensolvers are important tools for analyzing and mining useful information from scale-free graphs. Such graphs are used in many applications and can be extremely large. Unfortunately, existing parallel eigensolvers do not scale well for these graphs due to the high communication overhead in the parallel matrix-vector multiplication (MatVec). We develop a MatVec algorithm based on 2D edge partitioning that significantly reduces the communication costs and embed it into a popular eigensolver library. We demonstrate that the enhanced eigensolver can attain two orders of magnitude performance improvement compared to the original on a state-of-art massively parallel machine. We illustrate the performance of the embedded MatVec by computing eigenvalues of a scale-free graph with 300 million vertices and 5 billion edges, the largest scale-free graph analyzed by any in-memory parallel eigensolver, to the best of our knowledge.