This book constitutes the refereed proceedings of 3 workshops co-located with International Conference for High Performance Computing, Networking, Storage, and Analysis, SC19, held in Denver, CO, USA, in November 2019. The 12 full papers presented in this proceedings feature the outcome of the 6th Annual Workshop on HPC User Support Tools, HUST 2019, International Workshop on Software Engineering for HPC-Enabled Research, SE-HER 2019, and Third Workshop on Interactive High-Performance Computing, WIHPC 2019.

Developing software for current and especially for future architectures will require knowledge about parallel programming techniques of applications and library p- grammers. Multi-core processors are already available today, and processors with a dozen and more cores are on the horizon. The major driving force in hardware development, the game industry, has - ready shown interest in using parallel programming paradigms, such as OpenMP for further developments. Therefore developers have to be supported in the even more complex task of programming for these new architectures. HLRS has a long-lasting tradition of providing its user community with the most up-to-date software tools. Additionally, important research and development projects are worked on at the center: among the software packages developed are the MPI correctness checker Marmot, the OpenMP validation suite and the M- implementations PACX-MPI and Open MPI. All of these software packages are - ing extended in the context of German and European community research projects, such as ParMA, the InterActive European Grid (I2G) project and the German C- laborative Research Center (Sonderforschungsbereich 716). Furthermore, ind- trial collaborations, i.e. with Intel and Microsoft allow HLRS to get its software production-grade ready. In April 2007, a European project on Parallel Programming for Multi-core - chitectures, in short ParMA was launched, with a major focus on providing and developing tools for parallel programming.

The proceedings of the 5th International Workshop on Parallel Tools for High Performance Computing provide an overview on supportive software tools and environments in the fields of System Management, Parallel Debugging and Performance Analysis. In the pursuit to maintain exponential growth for the performance of high performance computers the HPC community is currently targeting Exascale Systems. The initial planning for Exascale already started when the first Petaflop system was delivered. Many challenges need to be addressed to reach the necessary performance. Scalability, energy efficiency and fault-tolerance need to be increased by orders of magnitude. The goal can only be achieved when advanced hardware is combined with a suitable software stack. In fact, the importance of software is rapidly growing. As a result, many international projects focus on the necessary software.

High Performance Computing is an integrated computing environment for solving large-scale computational demanding problems in science, engineering and business. Newly emerging areas of HPC applications include medical sciences, transportation, financial operations and advanced human-computer interface such as virtual reality. High performance computing includes computer hardware, software, algorithms, programming tools and environments, plus visualization. The book addresses several of these key components of high performance technology and contains descriptions of the state-of-the-art computer architectures, programming and software tools and innovative applications of parallel computers. In addition, the book includes papers on heterogeneous network-based computing systems and scalability of parallel systems. The reader will find information and data relative to the two main thrusts of high performance computing: the absolute computational performance and that of providing the most cost effective and affordable computing for science, industry and business. The book is recommended for technical as well as management oriented individuals.

This book presents the proceedings of the 10th International Parallel Tools Workshop, held October 4-5, 2016 in Stuttgart, Germany – a forum to discuss the latest advances in parallel tools. High-performance computing plays an increasingly important role for numerical simulation and modelling in academic and industrial research. At the same time, using large-scale parallel systems efficiently is becoming more difficult. A number of tools addressing parallel program development and analysis have emerged from the high-performance computing community over the last decade, and what may have started as collection of small helper script has now matured to production-grade frameworks. Powerful user interfaces and an extensive body of documentation allow easy usage by non-specialists.

This book constitutes the refereed proceedings of the 4th International Conference on Tools and Methods for Program Analysis, TMPA 2017, Moscow, Russia, March 3-4, 2017. The 12 revised full papers and 5 revised short papers presented together with three abstracts of keynote talks were carefully reviewed and selected from 51 submissions. The papers deal with topics such as software test automation, static program analysis, verification, dynamic methods of program analysis, testing and analysis of parallel and distributed systems, testing and analysis of high-load and high-availability systems, analysis and verification of hardware and software systems, methods of building quality software, tools for software analysis, testing and verification.

This book constitutes the refereed proceedings of the 19th Symposium on High Performance Computing System, WSCAD 2018, held in São Paulo, Brazil, in October 2018. The 12 revised full papers presented were carefully reviewed and selected out of 61 submissions. The papers included in this book are organized according to the following topics: cloud computing; performance; processors and memory architectures; power and energy.

Current advances in High Performance Computing (HPC) increasingly impact efficient software development workflows. Programmers for HPC applications need to consider trends such as increased core counts, multiple levels of parallelism, reduced memory per core, and I/O system challenges in order to derive well performing and highly scalable codes. At the same time, the increasing complexity adds further sources of program defects. While novel programming paradigms and advanced system libraries provide solutions for some of these challenges, appropriate supporting tools are indispensable. Such tools aid application developers in debugging, performance analysis, or code optimization and therefore make a major contribution to the development of robust and efficient parallel software. This book introduces a selection of the tools presented and discussed at the 7th International Parallel Tools Workshop, held in Dresden, Germany, September 3-4, 2013.

This volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, natural language processing (NLP), Bayesian optimization, automated virtual screening platforms, alchemical free energy workflows, fragment-molecular orbitals (FMO), HPC-adapted molecular dynamic simulation (MD-HPC), and the potential of cloud computing for drug discovery. The second section delves into computational algorithms and workflows for biomedicine, featuring an HPC framework to assess drug-induced arrhythmic risk, digital patient applications relevant to the clinic, virtual human simulations, cellular and whole-body blood flow modeling for stroke treatments, prediction of the femoral bone strength from CT data, and many more subjects. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step and readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, High Performance Computing for Drug Discovery and Biomedicine allows a diverse audience, including computer scientists, computational and medicinal chemists, biologists, clinicians, pharmacologists and drug designers, to navigate the complex landscape of what is currently possible and to understand the challenges and future directions of HPC-based technologies.