Best HPC Software
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What is HPC Software?
High-Performance Computing (HPC) software are applications designed to maximize computational power, enabling complex and resource-intensive tasks to be executed efficiently. These programs optimize parallel processing, often leveraging supercomputers or distributed computing clusters to solve problems in fields like scientific research, engineering, and data analytics. HPC software includes components for workload management, data communication, and performance tuning, ensuring scalability and efficient resource utilization. Examples include simulation software, machine learning frameworks, and tools for weather modeling or molecular dynamics. By harnessing advanced algorithms and hardware, HPC software accelerates computation, reducing the time required for tasks that would otherwise take weeks or months on conventional systems. Compare and read user reviews of the best HPC software currently available using the table below. This list is updated regularly.
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1
UberCloud
Simr (formerly UberCloud)
Simr (formerly UberCloud) is a cutting-edge platform for Simulation Operations Automation (SimOps). It streamlines and automates complex simulation workflows, enhancing productivity and collaboration. Leveraging cloud-based infrastructure, Simr offers scalable, cost-effective solutions for industries like automotive, aerospace, and electronics. Trusted by leading global companies, Simr empowers engineers to innovate efficiently and effectively. Simr supports a variety of CFD, FEA and other CAE software including Ansys, COMSOL, Abaqus, CST, STAR-CCM+, MATLAB, Lumerical and more. Simr automates every major cloud including Microsoft Azure, Amazon AWS, and Google GCP. -
2
Samadii Multiphysics
Metariver Technology Co.,Ltd
Metariver Technology Co., Ltd. is developing innovative and creative computer-aided engineering (CAE) analysis S/W based on the latest HPC technology and S/W technology including CUDA technology. We will change the paradigm of CAE technology by applying particle-based CAE technology and high-speed computation technology using GPUs to CAE analysis software. Here is an introduction to our products. 1. Samadii-DEM (the discrete element method): works with the discrete element method and solid particles. 2. Samadii-SCIV (Statistical Contact In Vacuum): working with high vacuum system gas-flow simulation. Using Monte Carlo simulation. 3. Samadii-EM (Electromagnetics): For full-field interpretation 4. Samadii-Plasma: Plasma simulation for Analysis of ion and electron behavior in an electromagnetic field. 5. Vampire (Virtual Additive Manufacturing System): Specializes in transient heat transfer analysis. additive manufacturing and 3D printing simulation software -
3
Azure CycleCloud
Microsoft
Create, manage, operate, and optimize HPC and big compute clusters of any scale. Deploy full clusters and other resources, including scheduler, compute VMs, storage, networking, and cache. Customize and optimize clusters through advanced policy and governance features, including cost controls, Active Directory integration, monitoring, and reporting. Use your current job scheduler and applications without modification. Give admins full control over which users can run jobs, as well as where and at what cost. Take advantage of built-in autoscaling and battle-tested reference architectures for a wide range of HPC workloads and industries. CycleCloud supports any job scheduler or software stack—from proprietary in-house to open-source, third-party, and commercial applications. Your resource demands evolve over time, and your cluster should, too. With scheduler-aware autoscaling, you can fit your resources to your workload.Starting Price: $0.01 per hour -
4
Intel Tiber AI Cloud
Intel
Intel® Tiber™ AI Cloud is a powerful platform designed to scale AI workloads with advanced computing resources. It offers specialized AI processors, such as the Intel Gaudi AI Processor and Max Series GPUs, to accelerate model training, inference, and deployment. Optimized for enterprise-level AI use cases, this cloud solution enables developers to build and fine-tune models with support for popular libraries like PyTorch. With flexible deployment options, secure private cloud solutions, and expert support, Intel Tiber™ ensures seamless integration, fast deployment, and enhanced model performance.Starting Price: Free -
5
Google Cloud GPUs
Google
Speed up compute jobs like machine learning and HPC. A wide selection of GPUs to match a range of performance and price points. Flexible pricing and machine customizations to optimize your workload. High-performance GPUs on Google Cloud for machine learning, scientific computing, and 3D visualization. NVIDIA K80, P100, P4, T4, V100, and A100 GPUs provide a range of compute options to cover your workload for each cost and performance need. Optimally balance the processor, memory, high-performance disk, and up to 8 GPUs per instance for your individual workload. All with the per-second billing, so you only pay only for what you need while you are using it. Run GPU workloads on Google Cloud Platform where you have access to industry-leading storage, networking, and data analytics technologies. Compute Engine provides GPUs that you can add to your virtual machine instances. Learn what you can do with GPUs and what types of GPU hardware are available.Starting Price: $0.160 per GPU -
6
Covalent
Agnostiq
Covalent’s serverless HPC architecture allows you to easily scale jobs from your laptop to your HPC/Cloud. Covalent is a Pythonic workflow tool for computational scientists, AI/ML software engineers, and anyone who needs to run experiments on limited or expensive computing resources including quantum computers, HPC clusters, GPU arrays, and cloud services. Covalent enables a researcher to run computation tasks on an advanced hardware platform – such as a quantum computer or serverless HPC cluster – using a single line of code. The latest release of Covalent includes two new feature sets and three major enhancements. True to its modular nature, Covalent now allows users to define custom pre- and post-hooks to electrons to facilitate various use cases from setting up remote environments (using DepsPip) to running custom functions.Starting Price: Free -
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Lustre
OpenSFS and EOFS
The Lustre file system is an open-source, parallel file system that supports many requirements of leadership class HPC simulation environments. Whether you’re a member of our diverse development community or considering the Lustre file system as a parallel file system solution, these pages offer a wealth of resources and support to meet your needs. The Lustre file system provides a POSIX-compliant file system interface, which can scale to thousands of clients, petabytes of storage, and hundreds of gigabytes per second of I/O bandwidth. The key components of the Lustre file system are the Metadata Servers (MDS), the Metadata Targets (MDT), Object Storage Servers (OSS), Object Server Targets (OST), and the Lustre clients. Lustre is purpose-built to provide a coherent, global POSIX-compliant namespace for very large-scale computer infrastructure, including the world's largest supercomputer platforms. It can support hundreds of petabytes of data storage.Starting Price: Free -
8
TrinityX
Cluster Vision
TrinityX is an open source cluster management system developed by ClusterVision, designed to provide 24/7 oversight for High-Performance Computing (HPC) and Artificial Intelligence (AI) environments. It offers a dependable, SLA-compliant support system, allowing users to focus entirely on their research while managing complex technologies such as Linux, SLURM, CUDA, InfiniBand, Lustre, and Open OnDemand. TrinityX streamlines cluster deployment through an intuitive interface, guiding users step-by-step to configure clusters for diverse uses like container orchestration, traditional HPC, and InfiniBand/RDMA architectures. Leveraging the BitTorrent protocol, enables rapid deployment of AI/HPC nodes, accommodating setups in minutes. The platform provides a comprehensive dashboard offering real-time insights into cluster metrics, resource utilization, and workload distribution, facilitating the identification of bottlenecks and optimization of resource allocation.Starting Price: Free -
9
Qlustar
Qlustar
The ultimate full-stack solution for setting up, managing, and scaling clusters with ease, control, and performance. Qlustar empowers your HPC, AI, and storage environments with unmatched simplicity and robust capabilities. From bare-metal installation with the Qlustar installer to seamless cluster operations, Qlustar covers it all. Set up and manage your clusters with unmatched simplicity and efficiency. Designed to grow with your needs, handling even the most complex workloads effortlessly. Optimized for speed, reliability, and resource efficiency in demanding environments. Upgrade your OS or manage security patches without the need for reinstallations. Regular and reliable updates keep your clusters safe from vulnerabilities. Qlustar optimizes your computing power, delivering peak efficiency for high-performance computing environments. Our solution offers robust workload management, built-in high availability, and an intuitive interface for streamlined operations.Starting Price: Free -
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Warewulf
Warewulf
Warewulf is a cluster management and provisioning system that has pioneered stateless node management for over two decades. It enables the provisioning of containers directly onto bare metal hardware at massive scales, ranging from tens to tens of thousands of compute systems while maintaining simplicity and flexibility. The platform is extensible, allowing users to modify default functionalities and node images to suit various clustering use cases. Warewulf supports stateless provisioning with SELinux, per-node asset key-based provisioning, and access controls, ensuring secure deployments. Its minimal system requirements and ease of optimization, customization, and integration make it accessible to diverse industries. Supported by OpenHPC and contributors worldwide, Warewulf stands as a successful HPC cluster platform utilized across various sectors. Minimal system requirements, easy to get started, and simple to optimize, customize, and integrate.Starting Price: Free -
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NVIDIA GPU-Optimized AMI
Amazon
The NVIDIA GPU-Optimized AMI is a virtual machine image for accelerating your GPU accelerated Machine Learning, Deep Learning, Data Science and HPC workloads. Using this AMI, you can spin up a GPU-accelerated EC2 VM instance in minutes with a pre-installed Ubuntu OS, GPU driver, Docker and NVIDIA container toolkit. This AMI provides easy access to NVIDIA's NGC Catalog, a hub for GPU-optimized software, for pulling & running performance-tuned, tested, and NVIDIA certified docker containers. The NGC catalog provides free access to containerized AI, Data Science, and HPC applications, pre-trained models, AI SDKs and other resources to enable data scientists, developers, and researchers to focus on building and deploying solutions. This GPU-optimized AMI is free with an option to purchase enterprise support offered through NVIDIA AI Enterprise. For how to get support for this AMI, scroll down to 'Support Information'Starting Price: $3.06 per hour -
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TotalView
Perforce
TotalView debugging software provides the specialized tools you need to quickly debug, analyze, and scale high-performance computing (HPC) applications. This includes highly dynamic, parallel, and multicore applications that run on diverse hardware — from desktops to supercomputers. Improve HPC development efficiency, code quality, and time-to-market with TotalView’s powerful tools for faster fault isolation, improved memory optimization, and dynamic visualization. Simultaneously debug thousands of threads and processes. Purpose-built for multicore and parallel computing, TotalView delivers a set of tools providing unprecedented control over processes and thread execution, along with deep visibility into program states and data. -
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Ansys HPC
Ansys
With the Ansys HPC software suite, you can use today’s multicore computers to perform more simulations in less time. These simulations can be bigger, more complex and more accurate than ever using high-performance computing (HPC). The various Ansys HPC licensing options let you scale to whatever computational level of simulation you require, from single-user or small user group options for entry-level parallel processing up to virtually unlimited parallel capacity. For large user groups, Ansys facilitates highly scalable, multiple parallel processing simulations for the most challenging projects when needed. Apart from parallel computing, Ansys also offers solutions for parametric computing, which enables you to more fully explore the design parameters (size, weight, shape, materials, mechanical properties, etc.) of your product early in the development process. -
14
Arm MAP
Arm
No need to change your code or the way you build it. Profiling for applications running on more than one server and multiple processes. Clear views of bottlenecks in I/O, in computing, in a thread, or in multi-process activity. Deep insight into actual processor instruction types that affect your performance. View memory usage over time to discover high watermarks and changes across the complete memory footprint. Arm MAP is a unique scalable low-overhead profiler, available standalone or as part of the Arm Forge debug and profile suite. It helps server and HPC code developers to accelerate their software by revealing the causes of slow performance. It is used from multicore Linux workstations through to supercomputers. You can profile realistic test cases that you care most about with typically under 5% runtime overhead. The interactive user interface is clear and intuitive, designed for developers and computational scientists. -
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Arm Forge
Arm
Build reliable and optimized code for the right results on multiple Server and HPC architectures, from the latest compilers and C++ standards to Intel, 64-bit Arm, AMD, OpenPOWER, and Nvidia GPU hardware. Arm Forge combines Arm DDT, the leading debugger for time-saving high-performance application debugging, Arm MAP, the trusted performance profiler for invaluable optimization advice across native and Python HPC codes, and Arm Performance Reports for advanced reporting capabilities. Arm DDT and Arm MAP are also available as standalone products. Efficient application development for Linux Server and HPC with Full technical support from Arm experts. Arm DDT is the debugger of choice for developing of C++, C, or Fortran parallel, and threaded applications on CPUs, and GPUs. Its powerful intuitive graphical interface helps you easily detect memory bugs and divergent behavior at all scales, making Arm DDT the number one debugger in research, industry, and academia. -
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Intel oneAPI HPC Toolkit
Intel
High-performance computing (HPC) is at the core of AI, machine learning, and deep learning applications. The Intel® oneAPI HPC Toolkit (HPC Kit) delivers what developers need to build, analyze, optimize, and scale HPC applications with the latest techniques in vectorization, multithreading, multi-node parallelization, and memory optimization. This toolkit is an add-on to the Intel® oneAPI Base Toolkit, which is required for full functionality. It also includes access to the Intel® Distribution for Python*, the Intel® oneAPI DPC++/C++ C¿compiler, powerful data-centric libraries, and advanced analysis tools. Get what you need to build, test, and optimize your oneAPI projects for free. With an Intel® Developer Cloud account, you get 120 days of access to the latest Intel® hardware, CPUs, GPUs, FPGAs, and Intel oneAPI tools and frameworks. No software downloads. No configuration steps, and no installations. -
17
Azure HPC
Microsoft
Azure high-performance computing (HPC). Power breakthrough innovations, solve complex problems, and optimize your compute-intensive workloads. Build and run your most demanding workloads in the cloud with a full stack solution purpose-built for HPC. Deliver supercomputing power, interoperability, and near-infinite scalability for compute-intensive workloads with Azure Virtual Machines. Empower decision-making and deliver next-generation AI with industry-leading Azure AI and analytics services. Help secure your data and applications and streamline compliance with multilayered, built-in security and confidential computing. -
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Amazon EC2 P4 Instances
Amazon
Amazon EC2 P4d instances deliver high performance for machine learning training and high-performance computing applications in the cloud. Powered by NVIDIA A100 Tensor Core GPUs, they offer industry-leading throughput and low-latency networking, supporting 400 Gbps instance networking. P4d instances provide up to 60% lower cost to train ML models, with an average of 2.5x better performance for deep learning models compared to previous-generation P3 and P3dn instances. Deployed in hyperscale clusters called Amazon EC2 UltraClusters, P4d instances combine high-performance computing, networking, and storage, enabling users to scale from a few to thousands of NVIDIA A100 GPUs based on project needs. Researchers, data scientists, and developers can utilize P4d instances to train ML models for use cases such as natural language processing, object detection and classification, and recommendation engines, as well as to run HPC applications like pharmaceutical discovery and more.Starting Price: $11.57 per hour -
19
Amazon S3 Express One Zone
Amazon
Amazon S3 Express One Zone is a high-performance, single-Availability Zone storage class purpose-built to deliver consistent single-digit millisecond data access for your most frequently accessed data and latency-sensitive applications. It offers data access speeds up to 10 times faster and requests costs up to 50% lower than S3 Standard. With S3 Express One Zone, you can select a specific AWS Availability Zone within an AWS Region to store your data, allowing you to co-locate your storage and compute resources in the same Availability Zone to further optimize performance, which helps lower compute costs and run workloads faster. Data is stored in a different bucket type, an S3 directory bucket, which supports hundreds of thousands of requests per second. Additionally, you can use S3 Express One Zone with services such as Amazon SageMaker Model Training, Amazon Athena, Amazon EMR, and AWS Glue Data Catalog to accelerate your machine learning and analytics workloads. -
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AWS Parallel Computing Service (AWS PCS) is a managed service that simplifies running and scaling high-performance computing workloads and building scientific and engineering models on AWS using Slurm. It enables the creation of complete, elastic environments that integrate computing, storage, networking, and visualization tools, allowing users to focus on research and innovation without the burden of infrastructure management. AWS PCS offers managed updates and built-in observability features, enhancing cluster operations and maintenance. Users can build and deploy scalable, reliable, and secure HPC clusters through the AWS Management Console, AWS Command Line Interface (AWS CLI), or AWS SDK. The service supports various use cases, including tightly coupled workloads like computer-aided engineering, high-throughput computing such as genomics analysis, accelerated computing with GPUs, and custom silicon like AWS Trainium and AWS Inferentia.Starting Price: $0.5977 per hour
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21
Intel offers a comprehensive suite of development tools tailored for designing with Altera FPGAs, CPLDs, and SoC FPGAs, catering to hardware engineers, software developers, and system architects. The Quartus Prime Design Software serves as a multiplatform environment encompassing all necessary features for FPGA, SoC FPGA, and CPLD design, including synthesis, optimization, verification, and simulation. For high-level design, Intel provides tools such as the Altera FPGA Add-on for oneAPI Base Toolkit, DSP Builder, High-Level Synthesis (HLS) Compiler, and the P4 Suite for FPGA, facilitating efficient development in areas like digital signal processing and high-level synthesis. Embedded developers can utilize the Nios V soft embedded processors and a range of embedded design tools, including the Ashling RiscFree IDE and Arm Development Studio (DS) for Altera SoC FPGAs, to streamline software development for embedded systems.
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22
HPE Pointnext
Hewlett Packard
This confluence put new demands on HPC storage as the input/output patterns of both workloads could not be more different. And it is happening right now. A recent study of the independent analyst firm Intersect360 found out that 63% of the HPC users today already are running machine learning programs. Hyperion Research forecasts that, at current course and speed, HPC storage spending in public sector organizations and enterprises will grow 57% faster than spending for HPC compute for the next three years. Seymour Cray once said, "Anyone can build a fast CPU. The trick is to build a fast system.” When it comes to HPC and AI, anyone can build fast file storage. The trick is to build a fast, but also cost-effective and scalable file storage system. We achieve this by embedding the leading parallel file systems into parallel storage products from HPE with cost effectiveness built in. -
23
ScaleCloud
ScaleMatrix
Data-intensive AI, IoT and HPC workloads requiring multiple parallel processes have always run best on expensive high-end processors or accelerators, such as Graphic Processing Units (GPU). Moreover, when running compute-intensive workloads on cloud-based solutions, businesses and research organizations have had to accept tradeoffs, many of which were problematic. For example, the age of processors and other hardware in cloud environments is often incompatible with the latest applications or high energy expenditure levels that cause concerns related to environmental values. In other cases, certain aspects of cloud solutions have simply been frustrating to deal with. This has limited flexibility for customized cloud environments to support business needs or trouble finding right-size billing models or support. -
24
Rocky Linux
Ctrl IQ, Inc.
CIQ empowers people to do amazing things by providing innovative and stable software infrastructure solutions for all computing needs. From the base operating system, through containers, orchestration, provisioning, computing, and cloud applications, CIQ works with every part of the technology stack to drive solutions for customers and communities with stable, scalable, secure production environments. CIQ is the founding support and services partner of Rocky Linux, and the creator of the next generation federated computing stack. - Rocky Linux, open, Secure Enterprise Linux - Apptainer, application Containers for High Performance Computing - Warewulf, cluster Management and Operating System Provisioning - HPC2.0, the Next Generation of High Performance Computing, a Cloud Native Federated Computing Platform - Traditional HPC, turnkey computing stack for traditional HPC -
25
Azure FXT Edge Filer
Microsoft
Create cloud-integrated hybrid storage that works with your existing network-attached storage (NAS) and Azure Blob Storage. This on-premises caching appliance optimizes access to data in your datacenter, in Azure, or across a wide-area network (WAN). A combination of software and hardware, Microsoft Azure FXT Edge Filer delivers high throughput and low latency for hybrid storage infrastructure supporting high-performance computing (HPC) workloads.Scale-out clustering provides non-disruptive NAS performance scaling. Join up to 24 FXT nodes per cluster to scale to millions of IOPS and hundreds of GB/s. When you need performance and scale in file-based workloads, Azure FXT Edge Filer keeps your data on the fastest path to processing resources. Managing data storage is easy with Azure FXT Edge Filer. Shift aging data to Azure Blob Storage to keep it easily accessible with minimal latency. Balance on-premises and cloud storage. -
26
Kombyne
Kombyne
Kombyne™ is an innovative new SaaS high-performance computing (HPC) workflow tool, initially developed for customers in the defense, automotive, and aerospace industries and academic research. It allows users to subscribe to a range of workflow solutions for HPC CFD jobs, from on-the-fly extract generation and rendering to simulation steering. Interactive monitoring and control are also available, all with minimal simulation disruption and no reliance on VTK. The need for large files is eliminated via extract workflows and real-time visualization. An in-transit workflow uses a separate process that quickly receives data from the solver code and performs visualization and analysis without interfering with the running solver. This process, called an endpoint, can directly output extracts, cutting planes or point samples for data science and can render images as well. The Endpoint can also act as a bridge to popular visualization codes. -
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HPE Performance Cluster Manager
Hewlett Packard Enterprise
HPE Performance Cluster Manager (HPCM) delivers an integrated system management solution for Linux®-based high performance computing (HPC) clusters. HPE Performance Cluster Manager provides complete provisioning, management, and monitoring for clusters scaling up to Exascale sized supercomputers. The software enables fast system setup from bare-metal, comprehensive hardware monitoring and management, image management, software updates, power management, and cluster health management. Additionally, it makes scaling HPC clusters easier and efficient while providing integration with a plethora of 3rd party tools for running and managing workloads. HPE Performance Cluster Manager reduces the time and resources spent administering HPC systems - lowering total cost of ownership, increasing productivity and providing a better return on hardware investments. -
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Arm Allinea Studio is a suite of tools for developing server and HPC applications on Arm-based platforms. It contains Arm-specific compilers and libraries, and debug and optimization tools. Arm Performance Libraries provide optimized standard core math libraries for high-performance computing applications on Arm processors. The library routines, which are available through both Fortran and C interfaces. Arm Performance Libraries are built with OpenMP across many BLAS, LAPACK, FFT, and sparse routines in order to maximize your performance in multi-processor environments.
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NVIDIA HPC SDK
NVIDIA
The NVIDIA HPC Software Development Kit (SDK) includes the proven compilers, libraries and software tools essential to maximizing developer productivity and the performance and portability of HPC applications. The NVIDIA HPC SDK C, C++, and Fortran compilers support GPU acceleration of HPC modeling and simulation applications with standard C++ and Fortran, OpenACC® directives, and CUDA®. GPU-accelerated math libraries maximize performance on common HPC algorithms, and optimized communications libraries enable standards-based multi-GPU and scalable systems programming. Performance profiling and debugging tools simplify porting and optimization of HPC applications, and containerization tools enable easy deployment on-premises or in the cloud. With support for NVIDIA GPUs and Arm, OpenPOWER, or x86-64 CPUs running Linux, the HPC SDK provides the tools you need to build NVIDIA GPU-accelerated HPC applications. -
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NVIDIA Modulus
NVIDIA
NVIDIA Modulus is a neural network framework that blends the power of physics in the form of governing partial differential equations (PDEs) with data to build high-fidelity, parameterized surrogate models with near-real-time latency. Whether you’re looking to get started with AI-driven physics problems or designing digital twin models for complex non-linear, multi-physics systems, NVIDIA Modulus can support your work. Offers building blocks for developing physics machine learning surrogate models that combine both physics and data. The framework is generalizable to different domains and use cases—from engineering simulations to life sciences and from forward simulations to inverse/data assimilation problems. Provides parameterized system representation that solves for multiple scenarios in near real time, letting you train once offline to infer in real time repeatedly.
