Emmy GCC 13 Modules
Warning
This software revision is a available for testing on a small number of AlmaLinux 10 test nodes. It cannot be used on the main HPC system. It should not be used for production workloads yet!
It is required to load the appropriate compiler and MPI modules before any of the modules become visible (hierarchical module system):
module load gcc/13.4.0
module load openmpi/5.0.10Tip
The software packages loaded on each phase are optimized for the particular CPU and GPU architecture (machine kind) of that phase (e.g AMD Turin or AMD Venice).
You can print the current machine kind by using the command: /sw/rev_profile/26.07/machine-kind
If you compile your own code (e.g. by using aocc or pip) please take care to compile on the same machine kind that the code will also be executed on.
List of Modules
| Module Names | Description | Homepage |
|---|---|---|
| cp2k/2025.2 cp2k/2026.1 | CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems | https://www.cp2k.org |
| fftw/3.3.11 | FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). We believe that FFTW, which is free software, should become the FFT library of choice for most applications. | https://www.fftw.org |
| foam-extend/4.1 foam-extend/4.1-debug foam-extend/4.1-solids4foam foam-extend/5.0 | The Extend Project is a fork of the OpenFOAM open-source library for Computational Fluid Dynamics (CFD). This offering is not approved or endorsed by OpenCFD Ltd, producer and distributor of the OpenFOAM software via www.openfoam.com, and owner of the OPENFOAM trademark. | https://sourceforge.net/projects/foam-extend/ |
| grads/2.2.3 | The Grid Analysis and Display System (GrADS) is an interactive desktop tool that is used for easy access, manipulation, and visualization of earth science data. GrADS has two data models for handling gridded and station data. GrADS supports many data file formats, including binary (stream or sequential), GRIB (version 1 and 2), NetCDF, HDF (version 4 and 5), and BUFR (for station data). | https://github.com/j-m-adams/GrADS |
| hdf5/1.10.11 hdf5/1.12.3 hdf5/1.14.6 | HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of data types, and is designed for flexible and efficient I/O and for high volume and complex data. | https://support.hdfgroup.org |
| intel-oneapi-mkl/2025.3.1 | Intel oneAPI Math Kernel Library (Intel oneMKL; formerly Intel Math Kernel Library or Intel MKL), is a library of optimized math routines for science, engineering, and financial applications. Core math functions include BLAS, LAPACK, ScaLAPACK, sparse solvers, fast Fourier transforms, and vector math. LICENSE INFORMATION: By downloading and using this software, you agree to the terms and conditions of the software license agreements at intel.ly/393CijO. | https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html |
| intel-oneapi-mpi/2021.17.2 | Intel MPI Library is a multifabric message-passing library that implements the open-source MPICH specification. Use the library to create, maintain, and test advanced, complex applications that perform better on high-performance computing (HPC) clusters based on Intel processors. | https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/mpi-library.html |
| molden/7.3 | A package for displaying Molecular Density from various Ab Initio packages | https://www.theochem.ru.nl/molden/ |
| must/1.11.2 | MUST detects usage errors of the Message Passing Interface (MPI) and reports them to the user. As MPI calls are complex and usage errors common, this functionality is extremely helpful for application developers that want to develop correct MPI applications. This includes errors that already manifest: segmentation faults or incorrect results as well as many errors that are not visible to the application developer or do not manifest on a certain system or MPI implementation. | https://www.i12.rwth-aachen.de/go/id/nrbe |
| namd/2.14 namd/2.14-smp namd/3.0.2 namd/3.0.2-smp | NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. | https://www.ks.uiuc.edu/Research/namd/ |
| netcdf-c/4.10.0 netcdf-c/4.9.3 | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. This is the C distribution. | https://www.unidata.ucar.edu/software/netcdf |
| netcdf-fortran/4.6.2 | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. This is the Fortran distribution. | https://www.unidata.ucar.edu/software/netcdf |
| openmpi/4.1.8 openmpi/5.0.10 | An open source Message Passing Interface implementation. | https://www.open-mpi.org |
| petsc/3.25.2-complex petsc/3.25.2-real | PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. | https://petsc.org |
| slepc/3.25.1 | Scalable Library for Eigenvalue Problem Computations. | https://slepc.upv.es |