The following software is available on the HPC systems. This initial list only shows software installed on Juno. Future updates will include software installed on Ganymede and Ganymede2.
| No | SW Suite Name | SW Name | Description | SW URL | Keywords | System | Module |
|---|---|---|---|---|---|---|---|
| 1 | EasyBuild | EasyBuild | EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way. | https://easybuild.iohttps://easybuild.io | build tools, software installation, python, HPC, automation | Juno | EasyBuild/4.9.4 |
| 2 | R | R | Free software environment for statistical computing and graphics with bug fixes and improved complex number handling | https://www.r-project.org | statistics, data analysis, programming, scientific computing, graphics, mathematics | Juno | R/4.4.1 |
| 3 | ADIOS2 | ADIOS2 | Adaptable I/O system featuring unified Python API, enhanced campaign management tools, and improved performance with GPU-aware staging engines | https://github.com/ornladios/ADIOS2 | scientific computing, data management, GPU, MPI, Python,data analysis | Juno | adios2/2.10.1 |
| 4 | Amber24 | Amber24 | Suite of biomolecular simulation programs for molecular dynamics with enhanced GPU performance and updated force fields | https://ambermd.org | molecular dynamics, biomolecular simulation, GPU computing, protein simulation, force fields, drug design, computational chemistry, | Juno | amber/24 |
| 5 | Amber24 | Amber24-beta | Suite of biomolecular simulation programs for molecular dynamics with enhanced GPU performance and updated force fields | https://ambermd.org | molecular dynamics, biomolecular simulation, GPU computing, protein simulation, force fields, drug design, computational chemistry, | Juno | amber/24-beta |
| 6 | AOCC | AOCC | AMD’s optimizing C/C++/Fortran compiler based on LLVM 17.0.6 with Zen 5 support and enhanced vectorization optimization | https://www.amd.com/en/developer/aocc.html | AMD, Zen, C++, Fortran, LLVM, optimization, vectorization, Linux, x86 | Juno | aocc/5.0 |
| 7 | Apptainer | Apptainer | Container platform for HPC environments with improved overlay support, AppArmor fixes, and enhanced monitoring capabilities | https://apptainer.org | virtualization, OCI, Docker, reproducibility, portability, containers | Juno | apptainer/1.3.4 |
| 8 | GNU | GNU Autotools | Build automation toolset featuring configure script generation, cross-platform build support, and portable software installation capabilities | https://www.gnu.org/software/automake | build system, configure, automake, autoconf, libtool, cross-platform, software installation, make, compilation, package management | Juno | autotools/ |
| 9 | Boost | Boost | C++ libraries collection with major updates to URL parsing, Container Hash, Locale support and new unordered containers | https://www.boost.org | C++, libraries, templates, cross-platform, metaprogramming, algorithms, iterators, threading, serialization, networking | Juno | boost/1.81.0 |
| 10 | Charliecloud | Charliecloud | Lightweight container runtime for HPC with user namespaces support, shell/Python libraries, and unprivileged container execution | https://hpc.github.io/charliecloud | containers, virtualization, Docker, user namespaces, portability, reproducibility | Juno | charliecloud/0.15 |
| 11 | CMake | CMake | Cross-platform build system generator with enhanced header-only library support, CMake presets, and improved CUDA capabilities | https://cmake.org/ | build system, compilation, cross-platform, configuration, C++, software installation, make, ninja, Visual Studio, compilation tools | Juno | cmake/3.24.2 |
| 12 | CubeLib | CubeLib | General purpose C++ library for reading/writing multi-dimensional performance data with enhanced scalability and data format support | https://www.scalasca.org/software/cube-4.x | performance analysis, profiling, Score-P, Scalasca, visualization, metrics, call path analysis, system monitoring, C++ | Juno | cubelib/4.8.2 |
| 13 | CubeW | CubeW | General purpose C++ library for reading/writing multi-dimensional performance data with enhanced scalability and data format support | https://www.scalasca.org/software/cube-4.x | performance analysis, profiling, Score-P, Scalasca, visualization, metrics, call path analysis, system monitoring, C++ | Juno | cubew/4.8.2 |
| 14 | CUDA 12.4 | CUDA 12.4 | GPU-accelerated computing toolkit with compiler tools, and libraries for high-performance applications | https://developer.nvidia.com/cuda-toolkit | GPU computing, parallel computing, NVIDIA,, deep learning, scientific computing, acceleration, machine learning | Juno | cuda/12.4 |
| 15 | CUDA 12.6 | CUDA 12.6 | GPU-accelerated computing toolkit with compiler tools, and libraries for high-performance applications | https://developer.nvidia.com/cuda-toolkit | GPU computing, parallel computing, NVIDIA,, deep learning, scientific computing, acceleration, machine learning | Juno | cuda/12.6 |
| 16 | Dimemas | Dimemas | High-abstracted network simulator for message-passing programs with performance prediction and analysis capabilities | https://tools.bsc.es/dimemas | performance analysis, network simulation, message passing, parallel computing, trace analysis, workload prediction, architecture modeling | Juno | dimemas/5.4.2 |
| 17 | Extrae | Extrae | Dynamic instrumentation and tracing package for performance analysis of parallel applications with MPI, OpenMP, CUDA support | https://tools.bsc.es/extrae | performance analysis, tracing, profiling, HPC, MPI, OpenMP, CUDA, instrumentation, sampling, debugging | Juno | extrae/3.8.3 |
| 18 | FFTW | FFTW | High-performance C library for computing discrete Fourier transforms with adaptive algorithm selection and multi-threading support | https://www.fftw.org | FFT, numerical computing, signal processing, scientific computing, C, MPI, OpenMP | Juno | fftw/3.3.10 |
| 19 | GNU | GNU12 | GNU Compiler Collection with optimizing compilers for C, C++, and other languages | https://gcc.gnu.org | compiler, C, C++, Fortran | Juno | gnu12/12.4.0 |
| 20 | GNU | GNU13 | GNU Compiler Collection with optimizing compilers for C, C++, and other languages | https://gcc.gnu.org | compiler, C, C++, Fortran | Juno | gnu13/13.2.0 |
| 21 | GNU | GNU14 | GNU Compiler Collection with optimizing compilers for C, C++, and other languages | https://gcc.gnu.org | compiler, C, C++, Fortran | Juno | gnu14/14.2.0 |
| 22 | GSL | GSL | GNU Scientific Library for numerical analysis with over 1000 mathematical routines including random number generators, special functions and FFT | https://www.gnu.org/software/gsl | numerical computing, scientific computing, C, C++, mathematics, statistics, FFT, linear algebra, special functions, random numbers, optimization, BLAS | Juno | gsl/2.7.1 |
| 23 | HDF5 | HDF5 | High-performance data management suite with signed binary support, enhanced error stack management, and improved cloud optimization | https://www.hdfgroup.org/solutions/hdf5 | data management, parallel I/O, compression, cloud storage, big data, file format, C, Fortran | Juno | hdf5/1.14.5 |
| 24 | HWLOC | HWLOC | Portable hardware topology detection and management library with enhanced memory attributes, NUMA support, and device locality features | https://www.open-mpi.org/projects/hwloc | hardware topology, NUMA, hardware locality, system architecture, CPU binding, cache hierarchy, GPU locality, process binding, hardware detection | Juno | hwloc/2.11.1 |
| 25 | HYPRE | HYPRE | High-performance parallel library of preconditioners and solvers featuring multigrid methods for structured and unstructured grid problems | https://github.com/hypre-space/hypre | linear solvers, parallel computing, preconditioners, numerical methods | Juno | hypre/2.18.1 |
| 26 | IMB | IMB | Intel MPI Benchmarks suite with enhanced GPU benchmarks, message pause control, and increased default window size for performance testing | https://github.com/intel/mpi-benchmarks | MPI, benchmarking, performance testing, GPU computing, message passing, communication testing | Juno | imb/2021.3 |
| 27 | Intel OneAPI | Intel OneAPI | Comprehensive HPC toolkit featuring new F2023 support, MPI 4.0 implementation, enhanced GPU optimizations, and advanced AI development capabilities | https://www.intel.com/oneapi | HPC, compiler, MPI, OpenMP, GPU computing, Fortran, C++, SYCL, AI acceleration, parallel computing, optimization, DPC++, oneAPI | Juno | intel/2025.0 |
| 28 | Libfabric | Libfabric | Core OFI component library providing user-space API for high-performance networking with TCP support, provider libraries integration, and enhanced NUMA capabilities | https://ofiwg.github.io/libfabric | networking, OFI, TCP, NUMA, provider libraries, MPI, OpenMPI | Juno | libfabric/1.18.0 |
| 29 | LIKWID | LIKWID | Performance monitoring and benchmarking suite featuring support for Intel SapphireRapids, AMD Zen4, Apple M1, and AMD GPUs with enhanced ROCm backend | https://github.com/rrze-hpc/likwid | performance monitoring, benchmarking, hardware counters, profiling, CPU topology, power monitoring, thread pinning, NUMA, GPU monitoring | Juno | likwid/5.3.0 |
| 30 | METIS | METIS | Serial library for graph partitioning and sparse matrix ordering featuring multilevel k-way partitioning and multi-constraint schemes | https://dssl.cs.vt.edu/metis-head.html | graph partitioning, sparse matrices, mesh partitioning, matrix ordering, finite elements, numerical computing, optimization | Juno | metis/5.1.0 |
| 31 | MFEM | MFEM | High-performance finite element library featuring AMG solvers for AMD GPUs, high-order mesh adaptation, and enhanced GPU-enabled assembly capabilities | https://mfem.org | finite elements,, numerical computing, PDE solver, GPU computing, mesh optimization, AMD, C++, AMG | Juno | mfem/4.4 |
| 32 | Miniconda | Miniconda | Minimal Anaconda distribution with conda package manager, Python, and essential dependencies featuring enhanced uninstallation options and telemetry | https://docs.anaconda.com/miniconda/ | Python, package management, conda, environment management, data science, machine learning, AI, cross-platform, scientific computing | Juno | miniconda/24.11.1 |
| 33 | MPICH OFI | MPICH OFI | High-performance MPI implementation with OFI network module support for optimized fabric interface communications and enhanced portability | https://www.mpich.org/ | MPI, message passing, OFI, libfabric, network communication | Juno | mpich/3.4.3-ofi |
| 34 | MPICH UCX | MPICH UCX | High-performance MPI implementation with UCX network module support featuring enhanced GPU awareness and hardware-optimized communication | https://www.mpich.org | MPI, UCX, GPU computing, message passing, CUDA, | Juno | mpich/3.4.3-ucx |
| 35 | MUMPS | MUMPS | Parallel sparse direct solver for large linear systems with multifrontal method, symmetric matrix support, and distributed memory capabilities | https://mumps-solver.org | sparse solver, linear algebra, multifrontal method, MPI, ScaLAPACK, BLAS, matrix factorization | Juno | mumps/5.2.1 |
| 36 | NAMD | NAMD | Parallel molecular dynamics code for high-performance biomolecular simulation with enhanced GPU-resident mode and improved pressure tensor calculations | https://www.ks.uiuc.edu/Research/namd | molecular dynamics, biomolecular simulation, VMD, AMBER, CHARMM, Charm++ | Juno | namd/3.0.1 |
| 37 | NetCDF C++ | NetCDF C++ | C++ interface library for scientific data access to NetCDF with enhanced data model support and improved binary data handling capabilities | https://www.unidata.ucar.edu/software/netcdf | C++, parallel I/O, array-oriented data, data format, data access, machine-independent, self-describing format | Juno | netcdf-cxx/4.3.1 |
| 38 | NetCDF Fortran | NetCDF Fortran | Fortran interface for NetCDF library with enhanced quantize functionality, zstandard compression support, and parallel I/O capabilities | https://www.unidata.ucar.edu/software/netcdf | Fortran, parallel I/O, array-oriented data, compression, quantization, zstandard, data format, MPI | Juno | netcdf-fortran/4.6.1 |
| 39 | NetCDF | NetCDF | Scientific data format library featuring HDF5 1.14.0 support, enhanced error stack management, and improved parallel I/O with compression | https://www.unidata.ucar.edu/software/netcdf | parallel I/O, HDF5, data compression, array-oriented data, self-describing format, high performance computing, C, Fortran, data management | Juno | netcdf/4.9.2 |
| 40 | NVIDIA HPC SDK | NVIDIA HPC SDK | Comprehensive HPC compiler suite featuring enhanced C++23 support, improved GPU optimizations, and CUDA 12.6 update 2 with advanced cuBLAS performance | https://developer.nvidia.com/hpc-sdk | CUDA, GPU computing, OpenACC, C++, Fortran, , scientific computing, cuBLAS, optimization, machine learning | Juno | nvhpc/24.11 |
| 41 | OpenHPC | OpenHPC | Community-driven HPC software stack providing pre-built components for cluster deployment including provisioning tools, resource managers, and scientific libraries | https://openhpc.community | cluster management, provisioning, resource management, compilers, MPI, libraries, parallel computing, software stack | Juno | ohpc/ |
| 42 | OSU Micro-Benchmarks | OSU Micro-Benchmarks | Performance testing suite for MPI operations featuring point-to-point benchmarks, collective operations, and GPU-enabled tests with CUDA/ROCm support | https://sarus.readthedocs.io/en/stable/cookbook/osu_mb/osu_mb.html | MPI, benchmarking, performance testing, collective operations, ROCm, latency testing, bandwidth testing | Juno | omb/7.3 |
| 43 | OPARI2 | OPARI2 | Source-to-source instrumentation tool for OpenMP and hybrid codes with enhanced multi-directory build support and OpenMP task tracking | https://www.vi-hps.org/tools/opari2.html | instrumentation, performance analysis, hybrid codes, source-to-source, POMP2, profiling | Juno | opari2/2.0.8 |
| 44 | OpenBLAS | OpenBLAS | OpenBLAS implements low-level routines for performing linear algebra operations such as vector addition, scalar multiplication, dot products, linear combinations, and matrix multiplication. | http://www.openmathlib.org/OpenBLAS/ | BLAS, linear algebra, matrix operations, Fortran, C, optimization | Juno | openblas/0.3.28 |
| 45 | OpenCoarrays | OpenCoarrays | Open-source software project that produces an application binary interface (ABI) used by the GNU Compiler Collection (GCC) Fortran front-end to build executable programs that leverage the parallel programming features of Fortran 2018 | http://www.opencoarrays.org | Fortran,coarray, GCC, gfortran, MPI | Juno | opencoarrays/2.10.2 |
| 46 | OpenMPI 4 | OpenMPI 4 | High-performance Message Passing Interface implementation featuring fault tolerance, GPU acceleration, and enhanced collective operations | https://www.open-mpi.org | MPI, HPC, message passing, distributed computing, GPU computing, scientific computing, UCX, PMIx, fault tolerance | Juno | openmpi4/4.1.6 |
| 47 | OpenMPI 5 | OpenMPI 5 | High-performance Message Passing Interface implementation featuring fault tolerance, GPU acceleration, and enhanced collective operations | https://www.open-mpi.org | MPI, HPC, message passing, distributed computing, GPU computing, scientific computing, UCX, PMIx, fault tolerance | Juno | openmpi5/5.0.5 |
| 48 | ORCA | ORCA | Quantum chemistry package featuring enhanced spectroscopic calculations and integrated XTB 6.7.1 support for semiempirical methods | https://orcaforum.kofo.mpg.de/app.php/portal | quantum, chemistry, DFT, ab initio, spectroscopy, molecular modeling, computational chemistry, semiempirical methods, XTB | Juno | orca/6.0.1 |
| 50 | OFT2 | OFT2 | Highly scalable event trace data format library with Python bindings support, multi-substrate read/write capabilities, and in-place timestamp manipulation | https://www.vi-hps.org/projects/score-p/index.html | performance analysis, tracing, Scalasca, Vampir, Tau, profiling, event trace, data format | Juno | otf2/3.0.3 |
| 51 | PAPI | PAPI | Performance monitoring interface featuring Software Defined Events API, high-level API revision, and enhanced GPU support for AMD ROCm and NVIDIA components | https://icl.utk.edu/papi/ | performance monitoring, hardware counters, profiling, ROCm, CUDA, power monitoring, instrumentation, software events | Juno | papi/6.0.0 |
| 52 | Program Database Toolkit | Program Database Toolkit | Framework for analyzing source code written in several programming languages featuring EDG C/C++ parsers, ROSE parser integration, and program database generation capabilities | https://www.cs.uoregon.edu/research/pdt | source code analysis, program analysis, static analysis, dynamic analysis, C++, Fortran, instrumentation, compilers | Juno | pdtoolkit/3.25.1 |
| 53 | PETSc | PETSc | Scientific computing toolkit featuring parallel linear/nonlinear solvers, ODE integrators, and optimization algorithms with enhanced error handling | https://petsc.org/release/ | linear solvers, nonlinear solvers, optimization, C, C++, Fortran, Python, PDE solvers, matrices, vectors | Juno | petsc/3.18.1 |
| 54 | PHDF5 | PHDF5 | Parallel version of HDF5 data management suite featuring enhanced MPI-IO support, improved parallel I/O performance, and virtual object layer optimizations | https://www.hdfgroup.org | parallel I/O, data management, MPI-IO, big data, file format, data compression | Juno | phdf5/1.14.0 |
| 55 | PLASMA | PLASMA | Parallel Linear Algebra Software for Multicore Architectures featuring tile algorithms, dynamic scheduling, and enhanced GPU acceleration | https://icl.utk.edu/plasma/ | linear algebra, LAPACK, BLAS, matrices, numerical computing | Juno | plasma/21.8.29 |
| 56 | PMIx | PMIx | Process Management Interface library for Exascale computing featuring enhanced dstore component support, improved Python regex for documentation, and fixed test builds | https://openpmix.github.io | process management, MPI, exascale computing, tool support, runtime systems, debugging | Juno | pmix/4.2.9 |
| 57 | PnetCDF | PnetCDF | High-performance parallel I/O library for NetCDF file access featuring intra-node aggregation and improved nonblocking performance | https://parallel-netcdf.github.io | parallel I/O, NetCDF,MPI-IO, file format, collective I/O, data management,CDF format | Juno | pnetcdf/1.12.3 |
| 58 | PRUN | PRUN | MPI wrapper utility that automatically handles MPI implementation selection and Slurm configurations for simplified parallel job execution in HPC environments | https://www.open-mpi.org/doc/v3.1/man1/prun.1.php | MPI, Slurm, process management, job launcher, OpenMPI, resource management, batch system | Juno | prun/2.2 |
| 59 | PT-Scotch | PT-Scotch | MPI-parallel version of SCOTCH featuring dynamic thread management, hybrid MPI+threads parallelism, and improved computational reproducibility for large-scale graph/mesh partitioning | https://www.labri.fr/perso/pelegrin/scotch/ | graph partitioning, mesh partitioning, MPI, sparse matrices, matrix ordering, static mapping | Juno | ptscotch/7.0.1 |
| 60 | MPI4Py | MPI4Py | Python bindings for MPI featuring pickle-based communication, NumPy array support, and enhanced error handling with ERRORS_RETURN | https://pypi.org/project/mpi4py/ | MPI, Python, parallel computing, NumPy, pickling, message passing, HPC, collective operations, point-to-point communication, scientific computing | Juno | py3-mpi4py/3.1.5 |
| 61 | NumPy | NumPy | Fundamental scientific computing package for Python featurin highly optimized array API functionality | https://numpy.org | numerical analysis, array operations, Python, linear algebra, matrices, statistics, mathematics, data science | Juno | py3-numpy/1.26.4 |
| 62 | Q-Chem | Q-Chem | Comprehensive quantum chemistry software featuring enhanced DFT capabilities, improved TDDFT gradients, and machine learning force field integration | https://www.q-chem.com | quantum chemistry, DFT, ab initio, molecular modeling, electronic structure, spectroscopy, excited states, machine learning | Juno | qchem/6.2.2 |
| 63 | ScaLAPACK | ScaLAPACK | High-performance parallel linear algebra library featuring ILP64 mode support, pointer macro improvements, and enhanced shared library capabilities | https://www.netlib.org/scalapack/ | inear algebra,matrices, eigenvalues, linear systems, LAPACK | Juno | scalapack/2.2.0 |
| 64 | Scalasca | Scalasca | Trace-based performance analysis toolset for parallel applications featuring automatic wait-state detection, enhanced MPI/OpenMP analysis, and Score-P integratio | https://www.scalasca.org | performance analysis, trace analysis, MPI, OpenMP, profiling, Score-P, wait-state detection | Juno | scalasca/2.6.1 |
| 65 | Score-P | Score-P | Highly scalable profiling and event tracing infrastructure featuring enhanced memory management, Python bindings, and multi-substrate read/write capabilities | https://www.vi-hps.org/projects/score-p | performance analysis, profiling, tracing,, MPI, OpenMP, CUDA, instrumentation, parallel computing, Vampir, Scalasca, TAU | Juno | scorep/8.4 |
| 66 | Scotch | Scotch | Graph and mesh partitioning package featuring parallel matrix ordering, dynamic thread management, and efficient memory usage for large-scale computations | https://www.labri.fr/perso/pelegrin/scotch/ | graph partitioning, mesh partitioning, sparse matrices, matrix ordering, MPI, POSIX threads, static mapping | Juno | scotch/6.0.6 |
| 67 | SIONlib | SIONlib | Scalable I/O library for parallel access to task-local files featuring collective I/O operations, CUDA-aware interfaces, and MSA-aware algorithms | https://apps.fz-juelich.de/jsc/sionlib/docu/index.html | parallel, I/O, binary data, task local files, MPI, OpenMP, CUDA, collective I/O, file handling | Juno | sionlib/1.7.7 |
| 68 | SLEPc | SLEPc | Scalable library for large sparse eigenvalue computations featuring spectrum slicing, matrix function evaluation, and enhanced GPU support | https://slepc.upv.es | eigenvalue problems, sparse matrices, parallel computing, PETSc, SVD, linear algebra , matrix functions | Juno | slepc/3.18.0 |
| 69 | Spack | Spack | Package manager for HPC featuring forward compatibility with v0.23, enhanced urllib support for Python 3.12.6+, and improved aarch64 architecture support | https://spack.io | package management, software installation, compilers, build system, dependencies, environments, modules, configuration management, reproducibility | Juno | spack/0.22.2 |
| 70 | SuperLU | SuperLU | General purpose library for direct solution of large sparse linear systems featuring enhanced GPU support, 64-bit indexing, and improved threshold-based ILU factorization | https://github.com/xiaoyeli/superlu | sparse solver, LU decomposition, Gaussian elimination, matrix factorization | Juno | superlu/7.0.0 |
| 71 | SuperLU_DIST | SuperLU_DIST | Parallel sparse linear system solver featuring static pivoting, OpenMP/MPI hybrid parallelism, and distributed memory capabilities for large-scale computations | https://github.com/xiaoyeli/superlu_dist | sparse solver, parallel computing, linear algebra, matrix factorization | Juno | superlu_dist/6.4.0 |
| 72 | TAU (Tuning and Analysis Utilities) | TAU (Tuning and Analysis Utilities) | Performance analysis toolkit featuring profiling, tracing, sampling capabilities with hardware counter support and multi-language instrumentation for parallel programs | https://www.cs.uoregon.edu/research/tau/home.php | performance analysis, profiling, tracing, sampling, MPI, OpenMP, CUDA, instrumentation, PAPI, callpath profiling, memory analysis | Juno | tau/2.31.1 |
| 73 | Trilinos | Trilinos | Collection of scientific libraries for large-scale multiphysics simulations featuring enhanced Kokkos ecosystem, Tpetra improvements, and GPU acceleration | https://trilinos.github.io | linear solvers, optimization, preconditioners, finite elements, multiphysics, Kokkos | Juno | trilinos/13.4.0 |
| 74 | UCX | UCX | High-performance communication framework featuring improved rendezvous protocols, enhanced GPU support, and optimized RDMA capabilities with Intel Level-Zero integratio | https://openucx.org | RDMA, communication, InfiniBand, RoCE, shared memory, network protocols | Juno | ucx/1.17.0 |
| 75 | Valgrind | Valgrind | Dynamic binary instrumentation framework featuring memory debugging, cache profiling, and thread error detection with enhanced POWER10 support | https://valgrind.org | debugging, memory analysis, profiling, leak detection, cache analysis, thread checking, binary instrumentation, performance analysis, development tools | Juno | valgrind/3.23.0 |
| 76 | VASP | VASP | Ab initio quantum mechanical molecular dynamics package featuring enhanced GPU acceleration, improved VTST tools, and optimized hybrid functional calculations | https://www.vasp.at | quantum mechanics, molecular dynamics, DFT, electronic structure, materials science,ab initio, solid state physics | Juno | vasp/6.4.2 |
This table was updated on February 7, 2025.