Modules organization
Modules are organized in three categories: Independent modules, EasyBuild modules and Cray modules.
user@frontal01:~ # module avail
---------------------------------------------------------------------------------------------------- Independent Modules -----------------------------------------------------------------------------------------------------
FreeCAD/0.19.2 cpe/24.07 lib/pmix/3.2.3 morfeo/3.5.2-gcc-8.5.0 nvidia/nvhpc-nompi/22.7
FreeCAD/1.0.0 (D) deprecated/paraview/5.5.2 lib/pmix/5.0.1 (D) morfeo/3.5.2-openmpi-4.1.6-gcc-8.5.0 nvidia/nvhpc/22.7
ann/1.1.2-gcc-8.5 devel/ArmForge/23.0.1 lib/ucx/1.12.1-system morfeo/3.5.3-abq2023-gcc-8.5.0 occt/7.5.0-gcc-8.5.0
ann/1.1.2-PrgEnv-gnu-8.3.3 devel/cmake/3.18.4 lib/ucx/1.12.1 (D) morfeo/3.5.3-gcc-8.5.0 (D) occt/7.9.0-gcc-8.5.0 (D)
ann/1.1.2-PrgEnv-gnu-8.4.0 (D) devel/cmake/3.23.2 (D) lmod-packages/SitePackage morfeo/3.5.3-openmpi-4.1.6-gcc-8.5.0 physics/paraview/5.8.1-osmesa
batch/slurm/21.08.8-2 devel/golang/1.17.5 morfeo/3.4.2-intel-2018.0.1 morfeo/3.5.5-abq2023-gcc-8.5.0 physics/paraview/5.8.1
boost/1.71.0-gcc-8.5 (D) devel/python/Anaconda3-2022.05 morfeo/3.5.0-abq2023-gcc-8.5.0 morfeo/3.5.5-gcc-8.5.0 physics/paraview/5.10.1-osmesa
boost/1.71.0-PrgEnv-gnu-8.3.3 devel/python/3.9.13 (D) morfeo/3.5.0-gcc-8.5.0 morfeo/3.5.5-openmpi-4.1.6-gcc-8.5.0 physics/paraview/5.10.1 (D)
boost/1.71.0-PrgEnv-gnu-8.4.0 devel/swig/3.0.12 morfeo/3.5.0-openmpi-4.1.6-gcc-8.5.0 mpi/openmpi/4.0.5 profilers/darshan/3.4.0
boost/1.86.0-gcc-8.5 ia/tensorflow/22.05-tf1-py3 morfeo/3.5.1-abq2023-gcc-8.5.0 mpi/openmpi/4.1.3 tools/likwid/5.2.1
code_aster/16.7.7 ia/tensorflow/22.05-tf2-py3 (D) morfeo/3.5.1-gcc-8.5.0 mpi/openmpi/4.1.6 (D)
compilers/gcc/10.2.0 lib/hdf5/1.13.1 morfeo/3.5.1-openmpi-4.1.6-gcc-8.5.0 nvidia/cuda/11.7.0-515.43.04
containers/apptainer/1.1.5 lib/pmix/3.2.3-system morfeo/3.5.2-abq2023-gcc-8.5.0 nvidia/nvhpc-byo-compiler/22.7
----------------------------------------------------------------------------------------------------- EasyBuild Modules ------------------------------------------------------------------------------------------------------
EasyBuild/2022a (S) EasyBuild/2023a (S) EasyBuild/2024a (S,D)
-------------------------------------------------------------------------------------------- Cray Programming Environment Modules --------------------------------------------------------------------------------------------
Cray/24.07 (S)
Independent Modules
Most of these modules provide system based scientific softwares and libraries. They rely on the system libraries and development headers.
EasyBuild Modules
EasyBuild is the framework used for installation of (most of) the scientific softwares and libraries. For more information about EasyBuild, see section EasyBuild of the documentation.
The module avail command presented above shows three different EasyBuild modules: EasyBuild/2022a, EasyBuild/2023a and EasyBuild/2024a. These are in fact so-called meta-modules: loading one of them will display the associated software stack. For example:
user@frontal01:~ # module --force purge
user@frontal01:~ # ml EasyBuild/2023a
user@frontal01:~ # module av
------------------------------------------------------------------------------------------- Independent Modules --------------------------------------------------------------------------------------------
[Skipped]
-------------------------------------------------------------------------------------------- EasyBuild Modules ---------------------------------------------------------------------------------------------
AOCC/4.0.0-GCCcore-12.3.0 HDF5/1.14.0-gompi-2023a PMIx/4.2.4-GCCcore-12.3.0 ecBuild/3.8.0
BLIS/0.9.0-GCC-12.3.0 Hypre/2.25.0-foss-2023a ParMETIS/4.0.3-gompi-2023a ecCodes/2.27.0-gompi-2023a
Blitz++/1.0.2-GCCcore-12.3.0 Hypre/2.29.0-foss-2023a (D) ParaView/5.11.2-foss-2023a ecCodes/2.31.0-gompi-2023a (D)
Boost.Python/1.82.0-GCC-12.3.0 ImageMagick/7.1.1-15-GCCcore-12.3.0 Perl-bundle-CPAN/5.36.1-GCCcore-12.3.0 foss/2023a
Boost/1.82.0-GCC-12.3.0 JasPer/2.0.33-GCCcore-12.3.0 Perl/5.36.1-GCCcore-12.3.0 gfbf/2023a
CDO/2.2.2-gompi-2023a JasPer/4.0.0-GCCcore-12.3.0 (D) Python-bundle-PyPI/2023.06-GCCcore-12.3.0 gnuplot/5.4.8-GCCcore-12.3.0
CMake/3.26.3-GCCcore-12.3.0 Java/17.0.6 (17) Python/3.11.3-GCCcore-12.3.0 gompi/2023a
CUDA/12.2.0 Julia/1.9.3-linux-x86_64 Python/3.12.3-GCCcore-12.3.0 (D) iimpi/2023a
Catch2/2.13.9-GCCcore-12.3.0 LLVM/16.0.6-GCCcore-12.3.0 Qt5/5.15.10-GCCcore-12.3.0 imkl-FFTW/2023.1.0-iimpi-2023a
EasyBuild-user/4.9.0 Lua/5.4.6-GCCcore-12.3.0 R/4.3.2-gfbf-2023a imkl/2023.1.0
EasyBuild/2022a (S) MCR/R2021b Rust/1.70.0-GCCcore-12.3.0 impi/2021.9.0-intel-compilers-2023.1.0
EasyBuild/2023a (S,L) METIS/5.1.0-GCCcore-12.3.0 SCOTCH/7.0.3-gompi-2023a intel-compilers/2023.1.0
EasyBuild/2024a (S,D) MUMPS/5.6.1-foss-2023a-metis SWIG/4.1.1-GCCcore-12.3.0 intel/2023a
Eigen/3.4.0-GCCcore-12.3.0 Meson/1.1.1-GCCcore-12.3.0 ScaLAPACK/2.2.0-gompi-2023a-fb libfabric/1.18.0-GCCcore-12.3.0
FFTW.MPI/3.3.10-gompi-2023a NCCL/2.18.3-GCCcore-12.3.0-CUDA-12.2.0 SciPy-bundle/2023.07-gfbf-2023a libxc/6.2.2-GCC-12.3.0
FFTW/3.3.10-GCC-12.3.0 NCO/5.1.8-foss-2023a SuiteSparse/7.1.0-foss-2023a make/4.4.1-GCCcore-12.3.0
FFmpeg/6.0-GCCcore-12.3.0 NVHPC/23.7-CUDA-12.2.0 SuiteSparse/7.6.0-foss-2023a-METIS-5.1.0 (D) mpi4py/3.1.4-gompi-2023a
FlexiBLAS/3.3.1-GCC-12.3.0 Ninja/1.11.1-GCCcore-12.3.0 SuperLU_DIST/8.1.0-foss-2023a netCDF-C++4/4.3.1-gompi-2023a
GCC/12.3.0 Octave/8.4.0-foss-2023a UCC-CUDA/1.2.0-GCCcore-12.3.0-CUDA-12.2.0 netCDF-Fortran/4.6.1-gompi-2023a
GCCcore/12.3.0 OpenBLAS/0.3.23-GCC-12.3.0 UCC/1.2.0-GCCcore-12.3.0 netCDF/4.9.2-gompi-2023a
GDRCopy/2.3.1-GCCcore-12.3.0 OpenMPI/4.1.5-GCC-12.3.0 UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.2.0 occt/7.8.0-foss-2023a
GROMACS/2023.3-foss-2023a OpenMPI/4.1.5-NVHPC-23.7-CUDA-12.2.0 (D) UCX/1.14.1-GCCcore-12.3.0 tbb/2021.11.0-GCCcore-12.3.0
Ghostscript/10.01.2-GCCcore-12.3.0 OpenSSL/1.1 Valgrind/3.21.0-gompi-2023a virtualenv/20.23.1-GCCcore-12.3.0
GraphicsMagick/1.3.36-GCCcore-12.3.0 PETSc/3.19.6-foss-2023a cuDNN/8.9.2.26-CUDA-12.2.0
----------------------------------------------------------------------------------- Cray Programming Environment Modules -----------------------------------------------------------------------------------
Cray/24.07 (S)
These software stacks are usually updated on a yearly basis - during the February maintenance window. This allows users to work with up-to-date software layers.
Info
For the sake of clarity, a lot of modules are intentionally hidden to avoid overloading the screen display when typing the module avail command. Please, use module --show-hidden avail in case you want to display all the available modules: hidden modules will then appear grayed out.
Note
EasyBuild relies on so-called toolchains. In EasyBuild terminology, a toolchain represents a collection of useful tools like a compiler and associated scientific libraries. For example, in order to assess the contents of the gfbf toolchain:
user@frontal01:~ # module whatis gfbf/2023a
gfbf/2023a : Description: GNU Compiler Collection (GCC) based compiler toolchain, including
FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW.
gfbf/2023a : Homepage: (none)
gfbf/2023a : URL: (none)
eb --list-toolchains command.
Warning
As the EasyBuild meta-modules are sticky, it is normally not possible to mix different toolchains. However, this remains possible under certain circumstances. Please, do not try to mix different toolchains: this would lead to unexpected behaviours by introducing weird compatibility issues.
Cray Programming Environment modules
Cray Programming Environment (also called CPE) is provided on Lucia. Based on the same approach as for EasyBuild, the Cray/24.07 module is a meta-module: loading it displays the modules associated with the software layer.
user@frontal01:~ # module --force purge
user@frontal01:~ # ml Cray/24.07
user@frontal01:~ # module av
------------------------------------------------------------------------------------------- Independent Modules --------------------------------------------------------------------------------------------
[Skipped]
-------------------------------------------------------------------------------------------- EasyBuild Modules ---------------------------------------------------------------------------------------------
[Skipped]
----------------------------------------------------------------------------------- Cray Programming Environment Modules -----------------------------------------------------------------------------------
Cray/24.07 (S,L) cray-cti/2.18.4 cray-mpich/8.1.30 craype-network-infiniband gdb4hpc/4.16.2 perftools-lite-loops
PrgEnv-aocc/8.4.0 cray-dsmml/0.2.2 cray-mrnet/5.1.3 craype-network-ofi intel-classic/2022.2.0 perftools-lite
PrgEnv-cray/8.4.0 cray-dyninst/12.3.2 cray-netcdf/4.9.0.13 craype-network-ucx intel-oneapi/2022.2.0 perftools-preload
PrgEnv-gnu/8.4.0 cray-fftw/3.3.10.8 cray-openshmemx/11.4.0.beta craype-x86-milan intel/2022.2.0 perftools
PrgEnv-intel/8.4.0 cray-hdf5-parallel/1.14.3.1 cray-pals/1.3.2 craype/2.7.32 libfabric/1.13.1 sanitizers4hpc/1.1.3
aocc/4.1.0 cray-libpals/1.3.2 cray-parallel-netcdf/1.12.3.13 craypkg-gen/1.3.33 papi/7.1.0.2 valgrind4hpc/2.13.3
atp/3.15.4 cray-libsci/24.07.0 cray-pmi/6.1.15 gcc-native/10.3 perftools-base/24.07.0
cce/18.0.0 cray-mpich-abi-pre-intel-5.0/8.1.30 cray-python/3.11.7 gcc-native/11.2 perftools-lite-events
cray-R/4.4.0 cray-mpich-abi/8.1.30 cray-stat/4.12.3 gcc-native/12.2 perftools-lite-gpu
cray-ccdb/5.0.4 cray-mpich-ucx/8.1.30 craype-accel-host gcc-native/13.2 (D) perftools-lite-hbm
...