List of the Top 12 HPC Software for Linux in 2025

Simr, previously known as UberCloud, is transforming simulation operations through its premier offering, Simulation Operations Automation (SimOps). This innovative solution is crafted to simplify and automate intricate simulation processes, thereby boosting productivity, collaboration, and efficiency for engineers and scientists in numerous fields such as automotive, aerospace, biomedical engineering, defense, and consumer electronics. By utilizing our cloud-based infrastructure, clients can benefit from scalable and budget-friendly solutions that remove the requirement for hefty upfront hardware expenditures. This approach guarantees that users gain access to the necessary computational resources precisely when needed, ultimately leading to lower costs and enhanced operational effectiveness. Simr has earned the trust of some of the world's top companies, including three of the seven leading global enterprises. A standout example of our impact is BorgWarner, a Tier 1 automotive supplier that employs Simr to streamline its simulation environments, resulting in marked efficiency improvements and fostering innovation. In addition, our commitment to continuous improvement ensures that we remain at the forefront of simulation technology advancements.

The Lustre file system is an open-source, parallel file system engineered to meet the rigorous demands of high-performance computing (HPC) simulation environments typically found in premier facilities. Whether you are part of our dynamic development community or assessing Lustre for your parallel file system needs, you will have access to a wealth of resources and support. With a POSIX-compliant interface, Lustre efficiently scales to support thousands of clients and manage petabytes of data while achieving remarkable I/O bandwidths that can surpass hundreds of gigabytes per second. Its architecture consists of crucial components, including Metadata Servers (MDS), Metadata Targets (MDT), Object Storage Servers (OSS), Object Server Targets (OST), and Lustre clients. Designed to create a cohesive, global POSIX-compliant namespace, Lustre is tailored for extensive computing environments, encompassing some of the largest supercomputing platforms available today. With the ability to handle vast amounts of data storage, Lustre emerges as a powerful solution for organizations aiming to effectively manage large datasets. Its adaptability and scalability render it an excellent choice across diverse applications in scientific research and data-intensive computing, reinforcing its status as a leading file system in the realm of high-performance computing. Organizations leveraging Lustre can expect enhanced data management capabilities and streamlined operations tailored to their computational needs.

TrinityX is an open-source cluster management solution created by ClusterVision, designed to provide ongoing monitoring for High-Performance Computing (HPC) and Artificial Intelligence (AI) environments. It offers a reliable support system that complies with service level agreements (SLAs), allowing researchers to focus on their projects without the complexities of managing advanced technologies like Linux, SLURM, CUDA, InfiniBand, Lustre, and Open OnDemand. By featuring a user-friendly interface, TrinityX streamlines the cluster setup process, assisting users through each step to tailor clusters for a variety of uses, such as container orchestration, traditional HPC tasks, and InfiniBand/RDMA setups. The platform employs the BitTorrent protocol to enable rapid deployment of AI and HPC nodes, with configurations being achievable in just minutes. Furthermore, TrinityX includes a comprehensive dashboard that displays real-time data regarding cluster performance metrics, resource utilization, and workload distribution, enabling users to swiftly pinpoint potential problems and optimize resource allocation efficiently. This capability enhances teams' ability to make data-driven decisions, thereby boosting productivity and improving operational effectiveness within their computational frameworks. Ultimately, TrinityX stands out as a vital tool for researchers seeking to maximize their computational resources while minimizing management distractions.

The NVIDIA GPU-Optimized AMI is a specialized virtual machine image crafted to optimize performance for GPU-accelerated tasks in fields such as Machine Learning, Deep Learning, Data Science, and High-Performance Computing (HPC). With this AMI, users can swiftly set up a GPU-accelerated EC2 virtual machine instance, which comes equipped with a pre-configured Ubuntu operating system, GPU driver, Docker, and the NVIDIA container toolkit, making the setup process efficient and quick. This AMI also facilitates easy access to the NVIDIA NGC Catalog, a comprehensive resource for GPU-optimized software, which allows users to seamlessly pull and utilize performance-optimized, vetted, and NVIDIA-certified Docker containers. The NGC catalog provides free access to a wide array of containerized applications tailored for AI, Data Science, and HPC, in addition to pre-trained models, AI SDKs, and numerous other tools, empowering data scientists, developers, and researchers to focus on developing and deploying cutting-edge solutions. Furthermore, the GPU-optimized AMI is offered at no cost, with an additional option for users to acquire enterprise support through NVIDIA AI Enterprise services. For more information regarding support options associated with this AMI, please consult the 'Support Information' section below. Ultimately, using this AMI not only simplifies the setup of computational resources but also enhances overall productivity for projects demanding substantial processing power, thereby significantly accelerating the innovation cycle in these domains.

High-performance computing (HPC) is a crucial aspect for various applications, including AI, machine learning, and deep learning. The Intel® oneAPI HPC Toolkit (HPC Kit) provides developers with vital resources to create, analyze, improve, and scale HPC applications by leveraging cutting-edge techniques in vectorization, multithreading, multi-node parallelization, and effective memory management. This toolkit is a key addition to the Intel® oneAPI Base Toolkit, which is essential for unlocking its full potential. Furthermore, it offers users access to the Intel® Distribution for Python*, the Intel® oneAPI DPC++/C++ compiler, a comprehensive suite of powerful data-centric libraries, and advanced analysis tools. Everything you need to build, test, and enhance your oneAPI projects is available completely free of charge. By registering for an Intel® Developer Cloud account, you receive 120 days of complimentary access to the latest Intel® hardware—including CPUs, GPUs, and FPGAs—as well as the entire suite of Intel oneAPI tools and frameworks. This streamlined experience is designed to be user-friendly, requiring no software downloads, configuration, or installation, making it accessible to developers across all skill levels. Ultimately, the Intel® oneAPI HPC Toolkit empowers developers to fully harness the capabilities of high-performance computing in their projects.

Intel offers a comprehensive suite of development tools tailored for Altera FPGAs, CPLDs, and SoC FPGAs, catering to the diverse requirements of hardware engineers, software developers, and system architects. The Quartus Prime Design Software serves as an all-encompassing platform that combines the essential features necessary for designing FPGAs, SoC FPGAs, and CPLDs, addressing key areas such as synthesis, optimization, verification, and simulation. To facilitate high-level design, Intel provides a range of tools, including the Altera FPGA Add-on for the oneAPI Base Toolkit, DSP Builder, the High-Level Synthesis (HLS) Compiler, and the P4 Suite for FPGA, which streamline the development process in domains like digital signal processing and high-level synthesis. Furthermore, embedded developers can utilize Nios V soft embedded processors alongside an array of specialized design tools, such as the Ashling RiscFree IDE and Arm Development Studio (DS) specifically designed for Altera SoC FPGAs, thereby enhancing the software development experience for embedded systems. With these extensive resources, developers are well-equipped to efficiently create optimized solutions across various application domains, resulting in improved productivity and innovation in their projects. This comprehensive support ultimately empowers teams to tackle complex challenges and realize their design visions with greater ease.

CIQ enables individuals to achieve remarkable feats by delivering cutting-edge and reliable software infrastructure solutions tailored for various computing requirements. Their offerings span from foundational operating systems to containers, orchestration, provisioning, computing, and cloud applications, ensuring robust support for every layer of the technology stack. By focusing on stability, scalability, and security, CIQ crafts production environments that benefit both customers and the broader community. Additionally, CIQ proudly serves as the founding support and services partner for Rocky Linux, while also pioneering the development of an advanced federated computing stack. This commitment to innovation continues to drive their mission of empowering technology users worldwide.

HPE Performance Cluster Manager (HPCM) presents a unified system management solution specifically designed for high-performance computing (HPC) clusters operating on Linux®. This software provides extensive capabilities for the provisioning, management, and monitoring of clusters, which can scale up to Exascale supercomputers. HPCM simplifies the initial setup from the ground up, offers detailed hardware monitoring and management tools, oversees the management of software images, facilitates updates, optimizes power usage, and maintains the overall health of the cluster. Furthermore, it enhances the scaling capabilities for HPC clusters and works well with a variety of third-party applications to improve workload management. By implementing HPE Performance Cluster Manager, organizations can significantly alleviate the administrative workload tied to HPC systems, which leads to reduced total ownership costs and improved productivity, thereby maximizing the return on their hardware investments. Consequently, HPCM not only enhances operational efficiency but also enables organizations to meet their computational objectives with greater effectiveness. Additionally, the integration of HPCM into existing workflows can lead to a more streamlined operational process across various computational tasks.

Developing reliable and optimized code that delivers precise outcomes across a range of server and high-performance computing (HPC) architectures is essential, especially when leveraging the latest compilers and C++ standards for Intel, 64-bit Arm, AMD, OpenPOWER, and Nvidia GPU hardware. Arm Forge brings together Arm DDT, regarded as the top debugging tool that significantly improves the efficiency of debugging high-performance applications, alongside Arm MAP, a trusted performance profiler that delivers vital optimization insights for both native and Python HPC applications, complemented by Arm Performance Reports for superior reporting capabilities. Moreover, both Arm DDT and Arm MAP can function effectively as standalone tools, offering flexibility to developers. With dedicated technical support from Arm experts, the process of application development for Linux Server and HPC is streamlined and productive. Arm DDT stands out as the preferred debugger for C++, C, or Fortran applications that utilize parallel and threaded execution on either CPUs or GPUs. Its powerful graphical interface simplifies the detection of memory-related problems and divergent behaviors, regardless of the scale, reinforcing Arm DDT's esteemed position among researchers, industry professionals, and educational institutions alike. This robust toolkit not only enhances productivity but also plays a significant role in fostering technical innovation across various fields, ultimately driving progress in computational capabilities. Thus, the integration of these tools represents a critical advancement in the pursuit of high-performance application development.

The NVIDIA HPC Software Development Kit (SDK) provides a thorough collection of dependable compilers, libraries, and software tools that are essential for improving both developer productivity and the performance and flexibility of HPC applications. Within this SDK are compilers for C, C++, and Fortran that enable GPU acceleration for modeling and simulation tasks in HPC by utilizing standard C++ and Fortran, alongside OpenACC® directives and CUDA®. Moreover, GPU-accelerated mathematical libraries enhance the effectiveness of commonly used HPC algorithms, while optimized communication libraries facilitate standards-based multi-GPU setups and scalable systems programming. Performance profiling and debugging tools are integrated to simplify the transition and optimization of HPC applications, and containerization tools make deployment seamless, whether in on-premises settings or cloud environments. Additionally, the HPC SDK is compatible with NVIDIA GPUs and diverse CPU architectures such as Arm, OpenPOWER, or x86-64 operating on Linux, thus equipping developers with comprehensive resources to efficiently develop high-performance GPU-accelerated HPC applications. In conclusion, this powerful toolkit is vital for anyone striving to advance the capabilities of high-performance computing, offering both versatility and depth for a wide range of applications.

NVIDIA Modulus is a sophisticated neural network framework designed to seamlessly combine the principles of physics, encapsulated through governing partial differential equations (PDEs), with data to develop accurate, parameterized surrogate models that deliver near-instantaneous responses. This framework is particularly suited for individuals tackling AI-driven physics challenges or those creating digital twin models to manage complex non-linear, multi-physics systems, ensuring comprehensive assistance throughout their endeavors. It offers vital elements for developing physics-oriented machine learning surrogate models that adeptly integrate physical laws with empirical data insights. Its adaptability makes it relevant across numerous domains, such as engineering simulations and life sciences, while supporting both forward simulations and inverse/data assimilation tasks. Moreover, NVIDIA Modulus facilitates parameterized representations of systems capable of addressing various scenarios in real time, allowing users to conduct offline training once and then execute real-time inference multiple times. By doing so, it empowers both researchers and engineers to discover innovative solutions across a wide range of intricate problems with remarkable efficiency, ultimately pushing the boundaries of what's achievable in their respective fields. As a result, this framework stands as a transformative tool for advancing the integration of AI in the understanding and simulation of physical phenomena.

Amazon's EC2 P4d instances are designed to deliver outstanding performance for machine learning training and high-performance computing applications within the cloud. Featuring NVIDIA A100 Tensor Core GPUs, these instances are capable of achieving impressive throughput while offering low-latency networking that supports a remarkable 400 Gbps instance networking speed. P4d instances serve as a budget-friendly option, allowing businesses to realize savings of up to 60% during the training of machine learning models and providing an average performance boost of 2.5 times for deep learning tasks when compared to previous P3 and P3dn versions. They are often utilized in large configurations known as Amazon EC2 UltraClusters, which effectively combine high-performance computing, networking, and storage capabilities. This architecture enables users to scale their operations from just a few to thousands of NVIDIA A100 GPUs, tailored to their particular project needs. A diverse group of users, such as researchers, data scientists, and software developers, can take advantage of P4d instances for a variety of machine learning tasks including natural language processing, object detection and classification, as well as recommendation systems. Additionally, these instances are well-suited for high-performance computing endeavors like drug discovery and intricate data analyses. The blend of remarkable performance and the ability to scale effectively makes P4d instances an exceptional option for addressing a wide range of computational challenges, ensuring that users can meet their evolving needs efficiently.