HPC Supported Software
The following is the list of frequently used software installed on Lingnan HPC NexT clusters. Both licensed and open-source software are included. More will be added on the need basis.
- Physics / Material Science
| Software | Version | Main functions and features |
| ABAQUS | R2024 | A software suite for finite element analysis (FEA) and computer-aided engineering (CAE), used for simulating the behaviour of materials and structures under various physical conditions. |
- Chemistry / Molecular Science
| Software | Version | Main functions and features |
| GROMACS | 2024.4 | A molecular dynamics simulation software for studying biochemical molecules like proteins, lipids, and nucleic acids. |
- Mathematics / Statistics / Graphics
| Software | Version | Main functions and features |
| Gnuplot | 5.4 | A portable, open-source command-line driven graphing utility that enables users to create a wide variety of 2D and 3D plots, widely used in scientific and engineering applications for data visualization. |
| MATLAB | R2024 | A high-level programming language and interactive environment used for numerical computation, data analysis, algorithm development, and visualization. |
| R | 4.2.1 4.4.2 | A powerful, open-source programming language and software environment for statistical computing and graphics, widely used for data analysis, data visualization, and developing statistical software by statisticians and data scientists. |
| SAS | 9.4 | A comprehensive software suite for advanced analytics, business intelligence, data management, and predictive analytics, widely used for statistical analysis and decision-making in various industries. |
| STATA | 18.5 | A comprehensive statistical software package used for data management, statistical analysis, graphics, and automated reporting. |
- Software Development / Operation
| Software | Version | Main functions and features |
| Apptainer | 1.3.6 | An open-source container platform designed for high-performance computing (HPC) environments, enabling users to create, manage, and run containers in a secure and reproducible manner, particularly suited for scientific and enterprise applications. |
Cmake | 3.24.2 | An open-source, cross-platform build system generator that manages the build process of software using compiler-independent configuration files, simplifying the process of compiling, testing, and packaging software projects. |
| CUDA | 12.4 12.6 | A parallel computing platform and API model created by NVIDIA, allowing developers to use NVIDIA GPUs for general-purpose processing, enhancing computational performance and efficiency. |
| EasyBuild | 4.9.4 | An open-source software build and installation framework designed to manage the compilation and installation of scientific software on HPC systems, ensuring reproducibility and consistency across environments. |
| GNU/GCC | 12.2 13.2 | Software development environment for the HPC platform. |
| GO | 1.23.4 | A statically typed, compiled programming language which is known for its simplicity, efficiency, and strong performance characteristics. |
| MPICH | 3.4.3 | A high-performance and widely portable implementation of the Message Passing Interface (MPI) standard (MPI-1, MPI-2 and MPI-3). It is an MPI implementation that efficiently supports different computation and communication platforms. |
| MVAPICH | 2.3.7 | A high-performance MPI (Message Passing Interface) library designed for use with InfiniBand, Omni-Path, Ethernet/iWARP, and RoCE networks, optimizing communication for parallel computing in scientific and engineering applications. |
| NVCC | 12.4 12.6 | A compiler driver for CUDA programming, translating CUDA code into executable binaries for NVIDIA GPUs, enabling developers to harness GPU acceleration for parallel processing tasks |
| Openblas | 0.3.21 | Provide optimized linear algebra routines for high-performance computing, enhancing matrix and vector operations on various hardware architectures. |
| Openmpi | 5.0.5 | Facilitate efficient, scalable communication for parallel computing applications in distributed-memory systems. |
| Intel Compiler | 2023.2.1 2024.0.0 2025.0.0 | Part of Intel's oneAPI toolkit, is a high-performance compiler designed to optimize and parallelize code for Intel processors and HPC (High-Performance Computing) environments, enhancing computational efficiency and scalability. |
| Plasma | 21.8.29 | A software package for solving problems in dense linear algebra using OpenMP. |
| Python | 2.7.18 3.12.8 3.13.1 | A versatile, high-level language commonly used for data analysis, AI, scientific computing, and automation. |
| Ruby | 3.4.1 | A dynamic, open-source programming language with a focus on simplicity and productivity. It features an elegant syntax that is natural to read and easy to write, widely used for web development. |
Spack | 0.21.2 0.22.2 | A flexible package manager automates the installation and management of scientific software, enabling users to easily build and customize complex software stacks with different configurations and dependencies. |