In the field of computational science, effectively supporting researchers necessitates a deep understanding of how they utilize computational resources. Building upon a decade-old survey that explored the practices and challenges of research computation, this study aims to bridge the understanding gap between providers of computational resources and researchers who rely on them. This study revisits key survey questions and gathers feedback on open-ended topics from over a hundred interviews. Quantitative analyses of present and past results illuminate the landscape of research computation. Qualitative analyses, including careful use of large language models, highlight trends and challenges with concrete evidence. Given the rapid evolution of computational science, this paper offers a toolkit with methodologies and insights to simplify future research and ensure ongoing examination of the landscape. This study, with its findings and toolkit, guides enhancements to computational systems, deepens understanding of user needs, and streamlines reassessment of the computational landscape.

Modern programming languages offer abstractions that simplify software development and allow hardware to reach its full potential. These abstractions range from the well-established OpenMP language extensions to newer C++ features like smart pointers. To properly use these abstractions in an existing codebase, programmers must determine how a given source code region interacts with Program State Elements (PSEs) (i.e., the program's variables and memory locations). We call this process Program State Element Characterization (PSEC). Without tool support for PSEC, a programmer's only option is to manually study the entire codebase. We propose a profile-based approach that automates PSEC and provides abstraction recommendations to programmers. Because a profile-based approach incurs an impractical overhead, we introduce the Compiler and Runtime Memory Observation Tool (CARMOT), a PSEC-specific compiler co-designed with a parallel runtime. CARMOT reduces the overhead of PSEC by two orders of magnitude, making PSEC practical. We show that CARMOT's recommendations achieve the same speedup as hand-tuned OpenMP directives and avoid memory leaks with C++ smart pointers. From this, we argue that PSEC tools, such as CARMOT, can provide support for the rich ecosystem of modern programming language abstractions.

High-level parallel languages (HLPLs) make it easier to write correct parallel programs. Disciplined memory usage in these languages enables new optimizations for hardware bottlenecks, such as cache coherence. In this work, we show how to reduce the costs of cache coherence by integrating the hardware coherence protocol directly with the programming language; no programmer effort or static analysis is required.

Modern and emerging architectures demand increasingly complex compiler analyses and transformations. As the emphasis on compiler infrastructure moves beyond support for peephole optimizations and the extraction of instruction-level parallelism, compilers should support custom tools designed to meet these demands with higher-level analysis-powered abstractions and functionalities of wider program scope. This paper introduces NOELLE, a robust open-source domain-independent compilation layer built upon LLVM providing this support. NOELLE extends abstractions and functionalities provided by LLVM enabling advanced, program-wide code analyses and transformations. This paper shows the power of NOELLE by presenting a diverse set of 11 custom tools built upon it.

Chip Multiprocessors (CMP) are everywhere, from mobile systems, to servers. Thread Level Parallelism (TLP) is the characteristic of a program that makes use of the parallel cores of a CMP to generate performance. Despite all efforts for creating TLP, multiple cores are still underutilized even though we have been in the multicore era for more than a decade. Recently, a new approach called STATS has been proposed to generate additional TLP for complex and irregular nondeterministic programs. STATS allows a developer to describe application-specific information that its compiler uses to automatically generate a new source of TLP. This new source of TLP increases with the size of the input and it has the potential to generate scalable performance with the number of cores. Even though STATS obtains most of its potential, some of it is still unreached. This paper identifies and characterizes the sources of overhead that are currently blocking STATS parallelized programs to achieve their full potential. To this end, we characterized the workloads generated by the STATS compiler on a 28 core Intel-based machine (dual-socket). This paper shows that the performance loss is due to a combination of factors: some can be optimized via engineering efforts and some require a deeper evolution of STATS. We also highlight potential solutions to significantly reduce most of this overhead. Exploiting these insights will unblock scalable performance for the parallel binaries generated by STATS.

The demand for thread-level-parallelism (TLP) on commodity processors is endless as it is essential for gaining performance and saving energy. However, TLP in today's programs is limited by dependences that must be satisfied at run time. We have found that for nondeterministic programs, some of these actual dependences can be satisfied with alternative data that can be generated in parallel, thus boosting the program's TLP. Satisfying these dependences with alternative data nonetheless produces final outputs that match those of the original nondeterministic program. To demonstrate the practicality of our technique, we describe the design, implementation, and evaluation of our compilers, autotuner, profiler, and runtime, which are enabled by our proposed C++ programming language extensions. The resulting system boosts the performance of six well-known nondeterministic and multi-threaded benchmarks by 158.2% (geometric mean) on a 28-core Intel-based platform.

The demand for thread-level parallelism (TLP) is endless, especially on commodity processors, as TLP is essential for gaining performance. However, the TLP of today's programs is limited by dependences that must be satisfied at run time. We have found that for nondeterministic programs, some of these actual dependences can be satisfied with alternative data that can be generated in parallel, therefore boosting the program's TLP. We show how these dependences (which we call "state dependences" because they are related to the program's state) can be exploited using algorithm-specific knowledge. To demonstrate the practicality of our technique, we implemented a system called April25th that incorporates the concept of "state dependences". This system boosts the performance of five nondeterministic, multi-threaded PARSEC benchmarks by 100.5%.