Skip to content

Software environment

A rich user software environment is available on MeluXina and can be used through environment modules. It comprises:

  • tools for HPC, HPDA and AI application development

    • compilers & programming languages
    • common use libraries for math & data
    • tools for performance engineering
  • scientific computing applications, libraries and frameworks

    • general-purpose HPC, HPDA or AI
    • or domain-specific

The MeluXina User Software Environment (MUSE)

The EasyBuild system is used on MeluXina to deploy software stacks, with applications and libraries provided in several revisions: compiled with different compilers, MPI suites, accelerated and non-accelerated versions. EasyBuild automatically generated software modules that enables the use of the different application revisions, and dependencies on particular support libraries.

The naming scheme used for the modules follows the application/version schema, e.g. NAMD/2.14-foss-2022a-ucx-CUDA-11.7.0 which shows that the NAMD application is available in version 2.14 built with the foss toolchain in the 2022a release, and with CUDA support.

For a deeper overview on versioning and toolchains see the EasyBuild documentation specific to Common toolchains and Available toolchains.

We release a new software stack at least once a year. The software stacks can be either: Production (current), Maintained (previous, not updated with new tools/versions), Retired (not maintained and should not be used any more) or Staging (preproduction envioronment for testing purposes).

MUSE release Based on EasyBuild toolchain(s) Status Path
2023.1 2023a Production and default from 2024-02-15 /apps/USE/easybuild/release/2023.1/modules/all/
2022.1 2022a Current Production and default since 2023-01-15 /apps/USE/easybuild/release/2022.1/modules/all/
2021.3 2021a Deprecated Production, not maintained from 2024-02-15 /apps/USE/easybuild/release/2021.3/modules/all
2021.5 2021a Deprecated Production, optimized version of 2021.3 stack and tracking it /apps/USE/easybuild/release/2021.5/modules/all/
2022.1 2023a Staging /apps/USE/easybuild/staging/2023.1/modules/all/
2022.1 2022a Staging, not maintained from 2024-02-15 /apps/USE/easybuild/staging/2022.1/modules/all/

Using different MUSE releases

To load modules from a software release other than the default Production stack, you can:

  • Use the dedicated software environment modules in the 'env/' branch, e.g. module load env/staging/2022.1
  • Or directly configure LMod to use the appropriate modules path, e.g.:
    module use /apps/USE/easybuild/staging/2022.1/modules/all/

The following table lists highlighted HPC applications, libraries and support tools available in the available releases of the MeluXina User Software Environment.

The current default stack - 2023.1

Module Name Version Toolchain GPU Support
520nmx 20.4 N/A
Abseil 20230125.3 GCCcore-12.3.0
ACTC 1.1 GCCcore-12.3.0
Advisor 2023.2.0 N/A
AMD-uProf 4.1.424 N/A
ant 1.10.14 Java-11
AOCC 4.0.0 GCCcore-12.3.0
Apptainer 1.2.4 GCCcore-12.3.0
archspec 0.2.1 GCCcore-12.3.0
aria2 1.36.0 GCCcore-12.3.0
Armadillo 12.6.2 foss-2023a
arpack-ng 3.9.0 foss-2023a
Arrow 14.0.1 gfbf-2023a
ATK 2.38.0 GCCcore-12.3.0
at-spi2-atk 2.38.0 GCCcore-12.3.0
at-spi2-core 2.49.91 GCCcore-12.3.0
attr 2.5.1 GCCcore-12.3.0
Autoconf 2.71 N/A
Autoconf 2.71 GCCcore-12.3.0
Automake 1.16.5 N/A
Automake 1.16.5 GCCcore-12.3.0
Autotools 20220317 N/A
Autotools 20220317 GCCcore-12.3.0
aws-cli 2.7.1 N/A
Bazel 6.3.1 GCCcore-12.3.0
BeautifulSoup 4.12.2 GCCcore-12.3.0
binutils 2.35 N/A
binutils 2.35 GCCcore-10.2.0
binutils 2.40 N/A
binutils 2.40 GCCcore-12.3.0
Bison 3.7.1 GCCcore-10.2.0
Bison 3.8.2 N/A
Bison 3.8.2 GCCcore-12.3.0
Blender 4.0.2 linux-x86_64-CUDA-12.2.0 Yes
BLIS 0.9.0 GCC-12.3.0
bokeh 3.2.2 foss-2023a
Boost 1.82.0 GCC-12.3.0
Brotli 1.0.9 GCCcore-12.3.0
Brunsli 0.1 GCCcore-12.3.0
bzip2 1.0.8 GCCcore-10.2.0
bzip2 1.0.8 GCCcore-12.3.0
cairo 1.17.8 GCCcore-12.3.0
c-ares 1.19.1 GCCcore-12.3.0
Catch2 2.13.9 N/A
cffi 1.15.1 GCCcore-12.3.0
cffi 1.15.1 GCCcore-12.3.0-python-3.10.8
CFITSIO 4.3.0 GCCcore-12.3.0
CGAL 5.6 GCCcore-12.3.0
Check 0.15.2 GCCcore-12.3.0
cirq-core 1.2.0 foss-2023a
Clang 16.0.6 GCCcore-12.3.0
Clang 16.0.6 GCCcore-12.3.0-CUDA-12.2.0 Yes
CMake 3.18.4 GCCcore-10.2.0
CMake 3.26.3 GCCcore-12.3.0
configurable-http-proxy 4.5.6 GCCcore-12.3.0
CP2K 2023.1 foss-2023a
CP2K 2023.1 foss-2023a-CUDA-12.2.0 Yes
CppUnit 1.15.1 GCCcore-12.3.0
cppy 1.2.1 GCCcore-12.3.0
cryptography 41.0.1 GCCcore-12.3.0
cryptography 41.0.1 GCCcore-12.3.0-python-3.10.8
CubeGUI 4.8.2 GCCcore-12.3.0
CubeLib 4.8.1 GCCcore-12.3.0
CubeWriter 4.8.1 GCCcore-12.3.0
CUDA 12.1.1 N/A
CUDA 12.2.0 N/A
cuDF 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
cuDNN 8.9.2.26 CUDA-12.1.1 Yes
cuDNN 8.9.2.26 CUDA-12.2.0 Yes
cuGraph 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
cuML 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
cuQuantum 23.10.0 CUDA-12.2.0 Yes
cuQuantum-Python 23.10.0 foss-2023a-CUDA-12.2.0 Yes
cURL 7.72.0 GCCcore-10.2.0
cURL 8.0.1 GCCcore-12.3.0
cuSpatial 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
cuTENSOR 1.7.0.1 CUDA-12.2.0 Yes
dask 2023.9.2 foss-2023a
dask-cuDF 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
DBus 1.15.4 GCCcore-12.3.0
dill 0.3.7 GCCcore-12.3.0
dotNET-Core-Runtime 7.0.11 GCCcore-12.3.0
dotNET-SDK 7.0.401 linux-x64
double-conversion 3.3.0 GCCcore-12.3.0
Doxygen 1.9.7 GCCcore-12.3.0
dtcmp 1.1.4 gompi-2023a
Eigen 3.4.0 GCCcore-12.3.0
elfutils 0.189 GCCcore-12.3.0
ELPA 2023.05.001 foss-2023a
ELPA 2023.05.001 intel-2023a
expat 2.5.0 GCCcore-12.3.0
expecttest 0.1.5 GCCcore-12.3.0
Extrae 4.0.6 gompi-2023a
FFmpeg 6.0 GCCcore-12.3.0
ffnvcodec 12.0.16.0 N/A
FFTW 3.3.10 GCC-12.3.0
FFTW.MPI 3.3.10 gompi-2023a
FLAC 1.4.2 GCCcore-12.3.0
flatbuffers 23.5.26 GCCcore-12.3.0
flatbuffers-python 23.5.26 GCCcore-12.3.0
flex 2.6.4 N/A
flex 2.6.4 GCCcore-10.2.0
flex 2.6.4 GCCcore-12.3.0
FlexiBLAS 3.3.1 GCC-12.3.0
FLINT 3.0.1 gfbf-2023a
flit 3.9.0 GCCcore-12.3.0
flit 3.9.0 GCCcore-12.3.0-python-3.10.8
FLTK 1.3.8 GCCcore-12.3.0
fontconfig 2.14.2 GCCcore-12.3.0
foss 2023a N/A
fpga-samples 1.0.0 N/A
freetype 2.13.0 GCCcore-12.3.0
FriBidi 1.0.12 GCCcore-12.3.0
FUSE 2.9.7 GCCcore-12.3.0
FUSE 3.16.2 GCCcore-12.3.0
GCC 12.3.0 N/A
GCCcore 10.2.0 N/A
GCCcore 12.3.0 N/A
GDAL 3.7.1 foss-2023a
GDB 13.2 GCCcore-12.3.0
Gdk-Pixbuf 2.42.10 GCCcore-12.3.0
GDRCopy 2.3.1 GCCcore-12.3.0
GEOS 3.12.0 GCC-12.3.0
gettext 0.21 N/A
gettext 0.21.1 N/A
gettext 0.21.1 GCCcore-12.3.0
gfbf 2023a N/A
Ghostscript 10.01.2 GCCcore-12.3.0
giflib 5.2.1 GCCcore-12.3.0
git 2.41.0 GCCcore-12.3.0-nodocs
git-lfs 3.4.0 N/A
GLib 2.77.1 GCCcore-12.3.0
GlobalArrays 5.8.2 intel-2023a
GLPK 5.0 GCCcore-12.3.0
GMP 6.2.1 GCCcore-12.3.0
gmpy2 2.1.5 GCC-12.3.0
gnuplot 5.4.8 GCCcore-12.3.0
Go 1.20.4 N/A
Go 1.21.2 N/A
GObject-Introspection 1.76.1 GCCcore-12.3.0
gocryptfs 2.4.0 GCCcore-12.3.0
gompi 2023a N/A
googletest 1.13.0 GCCcore-12.3.0
gperf 3.1 GCCcore-12.3.0
gperftools 2.12 GCCcore-12.3.0
Graphene 1.10.8 GCCcore-12.3.0
graphite2 1.3.14 GCCcore-12.3.0
Graphviz 8.1.0 GCCcore-12.3.0
graphviz-python 0.20.1 GCCcore-12.3.0
groff 1.22.4 GCCcore-12.3.0
GROMACS 2023.3 foss-2023a
GROMACS 2023.3 foss-2023a-CUDA-12.2.0 Yes
GSL 2.7 GCC-12.3.0
GST-plugins-bad 1.22.5 GCC-12.3.0
GST-plugins-base 1.22.5 GCC-12.3.0
GStreamer 1.22.5 GCC-12.3.0
GTK2 2.24.33 GCCcore-12.3.0
GTK3 3.24.37 GCCcore-12.3.0
GTK4 4.13.1 GCC-12.3.0
GTS 0.7.6 GCCcore-12.3.0
gzip 1.12 GCCcore-12.3.0
h5py 3.2.1 foss-2023a
h5py 3.9.0 foss-2023a
HarfBuzz 5.3.1 GCCcore-12.3.0
hatchling 1.18.0 GCCcore-12.3.0
hatchling 1.18.0 GCCcore-12.3.0-python-3.10.8
HDF 4.2.16 2-GCCcore-12.3.0
HDF5 1.10.7 gompi-2023a
HDF5 1.14.0 gompi-2023a
HDF5 1.14.0 iimpi-2023a
help2man 1.47.16 GCCcore-10.2.0
help2man 1.49.3 GCCcore-12.3.0
HH-suite 3.3.0 gompi-2023a
Highway 1.0.4 GCCcore-12.3.0
HPCX 2.16 GCCcore-12.3.0
hwloc 2.9.1 GCCcore-12.3.0
hypothesis 6.82.0 GCCcore-12.3.0
hypothesis 6.82.0 GCCcore-12.3.0-python-3.10.8
Hypre 2.28.0 foss-2023a
ICU 73.2 GCCcore-12.3.0
ifpgasdk 20.4 N/A
iimpi 2023a N/A
imageio 2.33.1 gfbf-2023a
ImageMagick 7.1.1 15-GCCcore-12.3.0
Imath 3.1.7 GCCcore-12.3.0
imkl 2023.1.0 N/A
imkl-FFTW 2023.1.0 iimpi-2023a
impi 2021.9.0 intel-compilers-2023.1.0
Inspector 2023.2.0 N/A
intel 2023a N/A
intel-compilers 2023.1.0 N/A
intltool 0.51.0 GCCcore-12.3.0
IOR 3.3.0 gompi-2023a
IPython 8.14.0 GCCcore-12.3.0
ISL 0.26 GCCcore-12.3.0
itac 2021.10.0 N/A
JasPer 4.0.0 GCCcore-12.3.0
Java 11.0.18 N/A
Java 11(@Java N/A
Java 17.0.6 N/A
jbigkit 2.1 GCCcore-12.3.0
jemalloc 5.3.0 GCCcore-12.3.0
json-c 0.16 GCCcore-12.3.0
JsonCpp 1.9.5 GCCcore-12.3.0
Julia 1.9.3 linux-x86_64
JupyterHub 4.0.2 GCCcore-12.3.0
JupyterLab 4.0.5 GCCcore-12.3.0
jupyter-server 2.7.2 GCCcore-12.3.0
KaHIP 3.14 gompi-2023a
KaHIP 3.16 gompi-2023a
kim-api 2.3.0 GCC-12.3.0
Kokkos 4.1.0 GCC-12.3.0
LAME 3.100 GCCcore-12.3.0
LAMMPS 2Aug2023_update2 foss-2023a-kokkos
LERC 4.0.0 GCCcore-12.3.0
libarchive 3.4.3 GCCcore-10.2.0
libarchive 3.6.2 GCCcore-12.3.0
libcap 1.2.53 GCCcore-12.3.0
libcerf 2.3 GCCcore-12.3.0
libcircle 0.3 gompi-2023a
libdeflate 1.18 GCCcore-12.3.0
libdrm 2.4.115 GCCcore-12.3.0
libepoxy 1.5.10 GCCcore-12.3.0
libevent 2.1.12 GCCcore-12.3.0
libfabric 1.18.0 GCCcore-12.3.0
libffi 3.4.4 GCCcore-12.3.0
libgd 2.3.3 GCCcore-12.3.0
libgeotiff 1.7.1 GCCcore-12.3.0
libgit2 1.7.1 GCCcore-12.3.0
libGLU 9.0.3 GCCcore-12.3.0
libglvnd 1.6.0 GCCcore-12.3.0
libiconv 1.17 GCCcore-12.3.0
Libint 2.7.2 GCC-12.3.0-lmax-6-cp2k
libjpeg-turbo 2.1.5.1 GCCcore-12.3.0
libogg 1.3.5 GCCcore-12.3.0
libopus 1.4 GCCcore-12.3.0
libpciaccess 0.17 GCCcore-12.3.0
libpng 1.6.39 GCCcore-12.3.0
libreadline 8.2 GCCcore-12.3.0
libsndfile 1.2.2 GCCcore-12.3.0
libsodium 1.0.18 GCCcore-12.3.0
LibTIFF 4.5.0 GCCcore-12.3.0
libtirpc 1.3.3 GCCcore-12.3.0
libtool 2.4.7 N/A
libtool 2.4.7 GCCcore-12.3.0
libunwind 1.6.2 GCCcore-12.3.0
libvorbis 1.3.7 GCCcore-12.3.0
libvori 220621 GCCcore-12.3.0
libwebp 1.3.1 GCCcore-12.3.0
libxc 6.2.2 GCC-12.3.0
libxml2 2.11.4 GCCcore-12.3.0
libxslt 1.1.38 GCCcore-12.3.0
libxsmm 1.17 GCC-12.3.0
libyaml 0.2.5 GCCcore-12.3.0
Linaro-Forge 23.0.3 GCC-12.3.0
LittleCMS 2.15 GCCcore-12.3.0
LLVM 16.0.6 GCCcore-12.3.0
LLVM 16.0.6 GCCcore-12.3.0-python-3.10.8
Lua 5.4.6 GCCcore-12.3.0
lwgrp 1.0.5 gompi-2023a
lxml 4.9.2 GCCcore-12.3.0
lz4 1.9.4 GCCcore-12.3.0
M4 1.4.18 N/A
M4 1.4.18 GCCcore-10.2.0
M4 1.4.19 N/A
M4 1.4.19 GCCcore-12.3.0
magma 2.7.2 foss-2023a-CUDA-12.1.1 Yes
make 4.4.1 GCCcore-12.3.0
makeinfo 7.0.3 GCCcore-12.3.0
Mako 1.2.4 GCCcore-12.3.0
matplotlib 3.7.2 gfbf-2023a
maturin 1.1.0 GCCcore-12.3.0
maturin 1.4.0 GCCcore-12.3.0-Rust-1.75.0
MDI 1.4.26 gompi-2023a
Mesa 23.1.4 GCCcore-12.3.0
Meson 1.1.1 GCCcore-12.3.0
Meson 1.1.1 GCCcore-12.3.0-python-3.10.8
meson-python 0.13.2 GCCcore-12.3.0
meson-python 0.13.2 GCCcore-12.3.0-python-3.10.8
METIS 5.1.0 GCCcore-12.3.0
MPC 1.3.1 GCCcore-12.3.0
MPFR 4.2.0 GCCcore-12.3.0
mpi4py 3.1.4 gompi-2023a
mpifileutils 0.11.1 foss-2023a
MUMPS 5.5.1 foss-2023a-metis
muparserx 4.0.12 GCCcore-12.3.0
NAMD 3.0b5 multicore-AVX512-bin
NAMD 3.0b5 multicore-bin
NAMD 3.0b5 multicore-CUDA-bin Yes
NASM 2.16.01 GCCcore-12.3.0
NCCL 2.18.3 GCCcore-12.3.0-CUDA-12.1.1 Yes
NCCL 2.18.3 GCCcore-12.3.0-CUDA-12.2.0 Yes
ncurses 5.9 N/A
ncurses 6.2 N/A
ncurses 6.2 GCCcore-10.2.0
ncurses 6.3 N/A
ncurses 6.4 GCCcore-12.3.0
netCDF 4.9.2 gompi-2023a
netCDF 4.9.2 iimpi-2023a
netCDF-C++4 4.3.1 gompi-2023a
netCDF-Fortran 4.6.1 gompi-2023a
netCDF-Fortran 4.6.1 iimpi-2023a
nettle 3.9.1 GCCcore-12.3.0
networkx 3.1 gfbf-2023a
Ninja 1.11.1 GCCcore-12.3.0
Ninja 1.11.1 GCCcore-12.3.0-python-3.10.8
nlohmann_json 3.11.2 GCCcore-12.3.0
NLopt 2.7.1 GCCcore-12.3.0
nodejs 18.17.1 GCCcore-12.3.0
NSPR 4.35 GCCcore-12.3.0
NSS 3.89.1 GCCcore-12.3.0
nsync 1.26.0 GCCcore-12.3.0
NTL 11.5.1 GCC-12.3.0
numactl 2.0.16 GCCcore-12.3.0
numba 0.57.1 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
numba 0.58.1 foss-2023a
NVHPC 23.7 N/A
NVHPC 23.7 CUDA-12.2.0 Yes
nvompic 2023a N/A
NVSHMEM 2.9.0 gompi-2023a-CUDA-12.2.0 Yes
NWChem 7.2.2 intel-2023a
OPARI2 2.0.7 GCCcore-12.3.0
OpenBLAS 0.3.23 GCC-12.3.0
OpenEXR 3.1.7 GCCcore-12.3.0
OpenFOAM 10 foss-2023a
OpenJPEG 2.5.0 GCCcore-12.3.0
OpenMPI 4.1.5 GCC-12.3.0
OpenMPI 4.1.5 NVHPC-23.7-CUDA-12.2.0 Yes
OpenPGM 5.2.122 GCCcore-12.3.0
OpenSSL 1.1 N/A
ORCA 5.0.4 gompi-2023a
OSU-Micro-Benchmarks 7.2 gompi-2023a
OSU-Micro-Benchmarks 7.2 gompi-2023a-CUDA-12.2.0 Yes
OTF2 3.0.3 GCCcore-12.3.0
Pango 1.50.14 GCCcore-12.3.0
PAPI 7.0.1 GCCcore-12.3.0
Paraver 4.11.1 foss-2023a
ParaView 5.11.2 foss-2023a
ParMETIS 4.0.3 gompi-2023a
patchelf 0.18.0 GCCcore-12.3.0
PCRE2 10.42 GCCcore-12.3.0
PCRE 8.45 GCCcore-12.3.0
PDT 3.25.1 GCCcore-12.3.0
Perl 5.36.1 GCCcore-12.3.0
Perl-bundle-CPAN 5.36.1 GCCcore-12.3.0
PETSc 3.19.4 foss-2023a
Pillow 10.0.0 GCCcore-12.3.0
Pillow 10.0.0 GCCcore-12.3.0-python-3.10.8
Pillow-SIMD 9.5.0 GCCcore-12.3.0
pixman 0.42.2 GCCcore-12.3.0
pkgconf 1.8.0 N/A
pkgconf 1.9.5 GCCcore-12.3.0
pkgconfig 1.5.5 GCCcore-12.3.0-python
PLUMED 2.9.0 foss-2023a
PMIx 4.2.6 GCCcore-12.3.0
poetry 1.5.1 GCCcore-12.3.0
poetry 1.5.1 GCCcore-12.3.0-python-3.10.8
popt 1.19 N/A
POV-Ray 3.7.0.10 GCC-12.3.0
PROJ 9.2.0 GCCcore-12.3.0
protobuf 24.0 GCCcore-12.3.0
protobuf-python 4.24.0 GCCcore-12.3.0
pscom 5.7.0 1-GCCcore-12.3.0
pscom 5.7.0 1-GCCcore-12.3.0-CUDA-12.2.0 Yes
psmpi 5.9.2 1-GCC-12.3.0
psmpi 5.9.2 1-GCC-12.3.0-CUDA-12.2.0 Yes
pybind11 2.11.1 GCCcore-12.3.0
pybind11 2.11.1 GCCcore-12.3.0-python-3.10.8
PyCairo 1.25.0 GCCcore-12.3.0
PycURL 7.45.2 GCCcore-12.3.0
PyGObject 3.46.0 GCCcore-12.3.0
pytest-flakefinder 1.1.0 GCCcore-12.3.0
pytest-rerunfailures 12.0 GCCcore-12.3.0
pytest-shard 0.1.2 GCCcore-12.3.0
Python 3.10.8 GCCcore-12.3.0
Python 3.11.3 GCCcore-12.3.0
Python-bundle-PyPI 2023.06 GCCcore-12.3.0
Python-bundle-PyPI 2023.06 GCCcore-12.3.0-python-3.10.8
PyYAML 6.0 GCCcore-12.3.0
PyZMQ 25.1.1 GCCcore-12.3.0
Qhull 2020.2 GCCcore-12.3.0
Qiskit 0.45.1 foss-2023a
qsimcirq 0.17.0 foss-2023a
Qt5 5.15.10 GCCcore-12.3.0
QuantumESPRESSO 7.2 foss-2023a
R 4.3.2 foss-2023a-bare
R 4.3.2 gfbf-2023a
RapidJSON 1.1.0 20230928-GCCcore-12.3.0
rapidsai 23.10.0 foss-2023a-CUDA-12.2.0-python-3.10.8 Yes
RE2 2023 08-01-GCCcore-12.3.0
re2c 3.1 GCCcore-12.3.0
ReFrame 4.4.0 N/A
retworkx 0.13.2 foss-2023a
Rust 1.70.0 GCCcore-12.3.0
Rust 1.75.0 GCCcore-12.3.0
rustworkx 0.13.2 foss-2023a
s3cmd 2.2.0 N/A
ScaFaCoS 1.0.4 foss-2023a
ScaLAPACK 2.2.0 gompi-2023a-fb
Scalasca 2.6.1 gompi-2023a
Scalasca 2.6.1 gompi-2023a-CUDA-12.2.0 Yes
scikit-build 0.17.6 GCCcore-12.3.0
scikit-build 0.17.6 GCCcore-12.3.0-python-3.10.8
scikit-image 0.22.0 foss-2023a
scikit-learn 1.3.1 gfbf-2023a
SciPy-bundle 2023.07 gfbf-2023a
SciPy-bundle 2023.07 gfbf-2023a-python-3.10.8
Score-P 8.1 gompi-2023a
Score-P 8.1 gompi-2023a-CUDA-12.2.0 Yes
SCOTCH 7.0.3 gompi-2023a
SDL2 2.28.2 GCCcore-12.3.0
setuptools 69.0.0 GCCcore-12.3.0
setuptools-rust 1.6.0 GCCcore-12.3.0
setuptools-rust 1.6.0 GCCcore-12.3.0-python-3.10.8
Shapely 2.0.1 gfbf-2023a-python-3.10.8
SIONlib 1.7.7 GCCcore-12.3.0-tools
snappy 1.1.10 GCCcore-12.3.0
Spark 3.5.0 foss-2023a
spdlog 1.11.0 GCCcore-12.3.0
SQLite 3.42.0 GCCcore-12.3.0
squashfuse 0.2.0 GCCcore-12.3.0
SuiteSparse 5.13.0 foss-2023a-METIS-5.1.0
SuperLU_DIST 8.1.2 foss-2023a
SWIG 4.1.1 GCCcore-12.3.0
SymEngine 0.11.2 GCC-12.3.0
SymEngine-python 0.11.0 GCC-12.3.0
sympy 1.12 gfbf-2023a
Szip 2.1.1 GCCcore-12.3.0
tbb 2021.10.0 GCCcore-12.3.0
tbb 2021.11.0 GCCcore-12.3.0
Tcl 8.6.13 GCCcore-12.3.0
tcsh 6.24.10 GCCcore-12.3.0
TensorFlow 2.13.0 foss-2023a
time 1.9 GCCcore-12.3.0
Tk 8.6.13 GCCcore-12.3.0
Tkinter 3.11.3 GCCcore-12.3.0
tornado 6.3.2 GCCcore-12.3.0
tqdm 4.66.1 GCCcore-12.3.0
typing-extensions 4.8.0 GCCcore-12.3.0
UCC 1.2.0 GCCcore-12.3.0
UCC-CUDA 1.2.0 GCCcore-12.3.0-CUDA-12.2.0 Yes
UCX 1.14.1 GCCcore-12.3.0
UCX-CUDA 1.14.1 GCCcore-12.3.0-CUDA-12.1.1 Yes
UCX-CUDA 1.14.1 GCCcore-12.3.0-CUDA-12.2.0 Yes
UDUNITS 2.2.28 GCCcore-12.3.0
UnZip 6.0 GCCcore-12.3.0
utf8proc 2.8.0 GCCcore-12.3.0
util-linux 2.39 GCCcore-12.3.0
Valgrind 3.21.0 gompi-2023a
virtualenv 20.23.1 GCCcore-12.3.0
virtualenv 20.23.1 GCCcore-12.3.0-python-3.10.8
VMD 1.9.4a57 foss-2023a
VMD 1.9.4a57 foss-2023a-CUDA-12.2.0 Yes
Voro++ 0.4.6 GCCcore-12.3.0
VTK 9.3.0 foss-2023a
VTune 2023.2.0 N/A
Wayland 1.22.0 GCCcore-12.3.0
WRF 4.5.1 foss-2023a-dmpar
wxWidgets 3.2.2.1 GCC-12.3.0
X11 20230603 GCCcore-12.3.0
x264 20230226 GCCcore-12.3.0
x265 3.5 GCCcore-12.3.0
Xerces-C++ 3.2.4 GCCcore-12.3.0
xorg-macros 1.20.0 GCCcore-12.3.0
xprop 1.2.6 GCCcore-12.3.0
Xvfb 21.1.8 GCCcore-12.3.0
xxd 9.0.2116 GCCcore-12.3.0
XZ 5.2.5 GCCcore-10.2.0
XZ 5.4.2 GCCcore-12.3.0
Yasm 1.3.0 GCCcore-12.3.0
Z3 4.12.2 GCCcore-12.3.0
Z3 4.12.2 GCCcore-12.3.0-Python-3.11.3
ZeroMQ 4.3.4 GCCcore-12.3.0
Zip 3.0 GCCcore-12.3.0
zlib 1.2.11 N/A
zlib 1.2.11 GCCcore-10.2.0
zlib 1.2.13 N/A
zlib 1.2.13 GCCcore-12.3.0
zstd 1.5.5 GCCcore-12.3.0

The previous release stack - 2022.1

Module Name Version Toolchain GPU Support
520nmx 20.4 N/A
ACTC 1.1 GCCcore-11.3.0
Advisor 2022.1.0 N/A
AMD-uProf 3.6.449 N/A
ant 1.10.11 Java-11
AOCC 3.2.0 GCCcore-11.3.0
archspec 0.1.4 GCCcore-11.3.0
aria2 1.36.0 GCCcore-11.3.0
Arm-Forge 22.0.4 GCC-11.3.0
arpack-ng 3.8.0 foss-2022a
Arrow 8.0.0 foss-2022a
ATK 2.38.0 GCCcore-11.3.0
at-spi2-atk 2.38.0 GCCcore-11.3.0
at-spi2-core 2.44.1 GCCcore-11.3.0
attr 2.5.1 GCCcore-11.3.0
Autoconf 2.69 GCCcore-11.3.0
Autoconf 2.71 GCCcore-11.3.0
Automake 1.16.5 GCCcore-11.3.0
Autotools 20220317 GCCcore-11.3.0
aws-cli 2.7.1 N/A
Bazel 5.1.1 GCCcore-11.3.0
BeautifulSoup 4.10.0 GCCcore-11.3.0
binutils 2.38 N/A
binutils 2.38 GCCcore-11.3.0
Bison 3.8.2 N/A
Bison 3.8.2 GCCcore-11.3.0
Blender 3.2.2 linux-x64
BLIS 0.9.0 GCC-11.3.0
bokeh 2.4.3 foss-2022a
Boost 1.79.0 GCC-11.3.0
Brotli 1.0.9 GCCcore-11.3.0
bzip2 1.0.8 GCCcore-11.3.0
cairo 1.17.4 GCCcore-11.3.0
c-ares 1.18.1 GCCcore-11.3.0
CGAL 4.14.3 gompi-2022a
CGAL 5.2 gompi-2022a
Check 0.15.2 GCCcore-11.3.0
cirq-core 1.0.0 foss-2022a
Clang 13.0.1 GCCcore-11.3.0
Clang 13.0.1 GCCcore-11.3.0-CUDA-11.7.0 Yes
CMake 3.23.1 GCCcore-11.3.0
configurable-http-proxy 4.5.2 GCCcore-11.3.0
CP2K 2022.1 foss-2022a
CP2K 9.1 foss-2022a
CppUnit 1.15.1 GCCcore-11.3.0
cppy 1.2.1 GCCcore-11.3.0
CubeGUI 4.7 GCCcore-11.3.0
CubeLib 4.7 GCCcore-11.3.0
CubeWriter 4.7 GCCcore-11.3.0
CUDA 11.7.0 N/A
cuDNN 8.4.1.50 CUDA-11.7.0 Yes
cuQuantum 22.11.0 foss-2022a
cURL 7.83.0 GCCcore-11.3.0
Dakota 6.16.0 foss-2022a
dask 2022.6.1 foss-2022a
DB 18.1.40 GCCcore-11.3.0
DBus 1.14.0 GCCcore-11.3.0
dotNET-Core-Runtime 6.0.6 GCCcore-11.3.0
dotNET-SDK 6.0.202 linux-x64
double-conversion 3.2.0 GCCcore-11.3.0
Doxygen 1.9.4 GCCcore-11.3.0
dtcmp 1.1.4 gompi-2022a
DualSPHysics 5.0.175 foss-2022a
DualSPHysics 5.0.175 GCC-11.3.0
DualSPHysics 5.0.175 GCC-11.3.0-CUDA-11.7.0 Yes
Eigen 3.4.0 GCCcore-11.3.0
elfutils 0.187 GCCcore-11.3.0
ELPA 2021.11.001 foss-2022a
expat 2.4.8 GCCcore-11.3.0
expecttest 0.1.3 GCCcore-11.3.0
FFmpeg 4.4.2 GCCcore-11.3.0
FFTW 3.3.10 GCC-11.3.0
FFTW.MPI 3.3.10 gompi-2022a
FLAC 1.3.4 GCCcore-11.3.0
flatbuffers 1.12.1 GCCcore-11.3.0
flatbuffers 2.0.8 GCCcore-11.3.0
flatbuffers-python 1.12.1 GCCcore-11.3.0
flatbuffers-python 2.0 GCCcore-11.3.0
flex 2.6.4 N/A
flex 2.6.4 GCCcore-11.3.0
FlexiBLAS 3.2.0 GCC-11.3.0
FLTK 1.3.8 GCCcore-11.3.0
fontconfig 2.14.0 GCCcore-11.3.0
foss 2022a N/A
fpga-samples 1.0.0 N/A
freetype 2.12.1 GCCcore-11.3.0
FriBidi 1.0.12 GCCcore-11.3.0
GCC 11.3.0 N/A
GCCcore 11.3.0 N/A
GDAL 3.5.1 foss-2022a
GDB 11.1 GCCcore-11.3.0
Gdk-Pixbuf 2.42.8 GCCcore-11.3.0
GDRCopy 2.3 GCCcore-11.3.0
GEOS 3.10.3 GCC-11.3.0
gettext 0.21 N/A
gettext 0.21 GCCcore-11.3.0
Ghostscript 9.56.1 GCCcore-11.3.0
giflib 5.2.1 GCCcore-11.3.0
git 2.36.0 GCCcore-11.3.0-nodocs
GLib 2.72.1 GCCcore-11.3.0
GLPK 5.0 GCCcore-11.3.0
GMP 6.2.1 GCCcore-11.3.0
gmpy2 2.1.2 GCC-11.3.0
gnuplot 5.4.2 GCCcore-11.3.0
gnuplot 5.4.4 GCCcore-11.3.0
Go 1.19.1 N/A
GObject-Introspection 1.72.0 GCCcore-11.3.0
gompi 2022a N/A
gompi 2022a prte
googletest 1.11.0 GCCcore-11.3.0
gperf 3.1 GCCcore-11.3.0
gperftools 2.10 GCCcore-11.3.0
graphite2 1.3.14 GCCcore-11.3.0
Graphviz 5.0.1 GCCcore-11.3.0
groff 1.22.4 GCCcore-11.3.0
GROMACS 2022.3 foss-2022a
GROMACS 2022.3 foss-2022a-CUDA-11.7.0 Yes
GSL 2.7 GCC-11.3.0
GTK2 2.24.33 GCCcore-11.3.0
GTK+ 3.24.34 GCCcore-11.3.0
GTK3 3.24.33 GCCcore-11.3.0
GTS 0.7.6 GCCcore-11.3.0
gzip 1.12 GCCcore-11.3.0
h5py 3.7.0 foss-2022a
h5py 3.7.0 foss-2022a-CUDA-11.7.0 Yes
HarfBuzz 4.2.1 GCCcore-11.3.0
HCOLL 4.7.3208 N/A
HDF 4.2.15 GCCcore-11.3.0
HDF5 1.12.2 gompi-2022a
HDF5 1.12.2 gompi-2022a-serial
help2man 1.49.2 GCCcore-11.3.0
HH-suite 3.3.0 gompi-2022a
Horovod 0.26.0 foss-2022a-CUDA-11.7.0-PyTorch-1.12.0 Yes
HPCX 2.12 GCCcore-11.3.0
hwloc 2.7.1 GCCcore-11.3.0
hypothesis 6.46.7 GCCcore-11.3.0
Hypre 2.25.0 foss-2022a
ICU 71.1 GCCcore-11.3.0
ifpgasdk 20.4 N/A
iimpi 2022a N/A
imageio 2.19.3 foss-2022a
ImageMagick 7.1.0 37-GCCcore-11.3.0
imkl 2022.1.0 N/A
imkl-FFTW 2022.1.0 iimpi-2022a
impi 2021.6.0 intel-compilers-2022.1.0
Inspector 2022.1.0 N/A
intel 2022a N/A
intel-compilers 2022.1.0 N/A
intltool 0.51.0 GCCcore-11.3.0
IOR 3.3.0 gompi-2022a
IPython 8.5.0 GCCcore-11.3.0
ISL 0.24 GCCcore-11.3.0
itac 2021.6.0 N/A
JasPer 2.0.33 GCCcore-11.3.0
Java 11.0.16 N/A
Java 11(@Java N/A
jbigkit 2.1 GCCcore-11.3.0
jemalloc 5.3.0 GCCcore-11.3.0
jemalloc 5.3.0 GCCcore-11.3.0-64bytes-alignement
JsonCpp 1.9.5 GCCcore-11.3.0
Julia 1.8.2 linux-x86_64
JupyterHub 2.3.1 GCCcore-11.3.0
JupyterLab 3.2.8 GCCcore-11.3.0
Keras 2.9.0 foss-2022a
kim-api 2.3.0 GCCcore-11.3.0
knem 1.1.4.90 GCCcore-11.3.0
Kokkos 3.6.01 GCC-11.3.0
LAME 3.100 GCCcore-11.3.0
LAMMPS 23Jun2022 foss-2022a-kokkos
LAMMPS 23Jun2022 foss-2022a-kokkos-CUDA-11.7.0 Yes
libarchive 3.6.1 GCCcore-11.3.0
libcap 1.2.53 GCCcore-11.3.0
libcerf 2.1 GCCcore-11.3.0
libcint 5.1.3 foss-2022a
libcircle 0.3 gompi-2022a
libdeflate 1.10 GCCcore-11.3.0
libdrm 2.4.110 GCCcore-11.3.0
libepoxy 1.5.10 GCCcore-11.3.0
libevent 2.1.12 GCCcore-11.3.0
libfabric 1.15.1 GCCcore-11.3.0
libffi 3.4.2 GCCcore-11.3.0
libgd 2.3.3 GCCcore-11.3.0
libgeotiff 1.7.1 GCCcore-11.3.0
libgit2 1.4.3 GCCcore-11.3.0
libGLU 9.0.2 GCCcore-11.3.0
libglvnd 1.4.0 GCCcore-11.3.0
libiconv 1.17 GCCcore-11.3.0
Libint 2.7.2 GCC-11.3.0-lmax-6-cp2k
libjpeg-turbo 2.1.3 GCCcore-11.3.0
libogg 1.3.5 GCCcore-11.3.0
libopus 1.3.1 GCCcore-11.3.0
libpciaccess 0.16 GCCcore-11.3.0
libpng 1.6.37 GCCcore-11.3.0
libreadline 8.1.2 GCCcore-11.3.0
libsndfile 1.1.0 GCCcore-11.3.0
libsodium 1.0.18 GCCcore-11.3.0
LibTIFF 4.3.0 GCCcore-11.3.0
libtirpc 1.3.2 GCCcore-11.3.0
libtool 2.4.7 GCCcore-11.3.0
libunwind 1.6.2 GCCcore-11.3.0
libvorbis 1.3.7 GCCcore-11.3.0
libwebp 1.2.2 GCCcore-11.3.0
libxc 5.2.3 GCC-11.3.0
libxml2 2.9.13 GCCcore-11.3.0
libxslt 1.1.34 GCCcore-11.3.0
libxsmm 1.17 GCC-11.3.0
libyaml 0.2.5 GCCcore-11.3.0
LittleCMS 2.13.1 GCCcore-11.3.0
LLVM 14.0.3 GCCcore-11.3.0
LMDB 0.9.29 GCCcore-11.3.0
Lua 5.4.4 GCCcore-11.3.0
lwgrp 1.0.5 gompi-2022a
lxml 4.9.1 GCCcore-11.3.0
lz4 1.9.3 GCCcore-11.3.0
M4 1.4.19 N/A
M4 1.4.19 GCCcore-11.3.0
magma 2.6.2 foss-2022a-CUDA-11.7.0 Yes
makeinfo 6.8 GCCcore-11.3.0
Mako 1.2.0 GCCcore-11.3.0
matplotlib 3.5.2 foss-2022a
Mesa 22.0.3 GCCcore-11.3.0
Meson 0.62.1 GCCcore-11.3.0
METIS 5.1.0 GCCcore-11.3.0
MPC 1.2.1 GCCcore-11.3.0
MPFR 4.1.0 GCCcore-11.3.0
mpifileutils 0.11.1 foss-2022a
MUMPS 5.5.0 foss-2022a-metis
NAMD 2.14 foss-2022a-mpi
NAMD 2.14 foss-2022a-ucx-CUDA-11.7.0 Yes
NASM 2.15.05 GCCcore-11.3.0
NCCL 2.12.12 GCCcore-11.3.0-CUDA-11.7.0 Yes
ncurses 5.9 N/A
ncurses 6.2 N/A
ncurses 6.3 GCCcore-11.3.0
netCDF 4.9.0 gompi-2022a
nettle 3.8 GCCcore-11.3.0
networkx 2.8.4 foss-2022a
Ninja 1.10.2 GCCcore-11.3.0
nlohmann_json 3.10.5 GCCcore-11.3.0
NLopt 2.7.1 GCCcore-11.3.0
nodejs 16.15.1 GCCcore-11.3.0
NSPR 4.34 GCCcore-11.3.0
NSS 3.79 GCCcore-11.3.0
nsync 1.25.0 GCCcore-11.3.0
numactl 2.0.14 GCCcore-11.3.0
NVHPC 22.7 N/A
NVHPC 22.7 CUDA-11.7.0 Yes
nvompic 2022a N/A
NVSHMEM 2.6.0 gompi-2022a-CUDA-11.7.0 Yes
OPARI2 2.0.6 GCCcore-11.3.0
OpenBLAS 0.3.20 GCC-11.3.0
OpenCV 4.6.0 foss-2022a-contrib
OpenCV 4.6.0 foss-2022a-CUDA-11.7.0-contrib Yes
OpenEXR 3.1.5 GCCcore-11.3.0
OpenFOAM 9 foss-2022a
OpenMPI 4.1.4 GCC-11.3.0
OpenMPI 4.1.4 GCC-11.3.0-prte
OpenMPI 4.1.4 NVHPC-22.7
OpenMPI 4.1.4 NVHPC-22.7-CUDA-11.7.0 Yes
OpenPGM 5.2.122 GCCcore-11.3.0
OpenSSL 1.1 N/A
ORCA 5.0.3 gompi-2022a
OSU-Micro-Benchmarks 6.0 gompi-2022a
OSU-Micro-Benchmarks 6.0 gompi-2022a-CUDA-11.7.0 Yes
OSU-Micro-Benchmarks 6.0 gompi-2022a-prte
OSU-Micro-Benchmarks 6.0 iimpi-2022a
OTF2 2.3 GCCcore-11.3.0
Pango 1.50.7 GCCcore-11.3.0
PAPI 6.0.0.1 GCCcore-11.3.0
ParaView 5.10.1 foss-2022a-mpi
PCRE2 10.40 GCCcore-11.3.0
PCRE 8.45 GCCcore-11.3.0
PDT 3.25.1 GCCcore-11.3.0
Perl 5.34.1 GCCcore-11.3.0
PETSc 3.17.4 foss-2022a
Pillow 9.1.1 GCCcore-11.3.0
Pillow-SIMD 9.2.0 GCCcore-11.3.0
pixman 0.40.0 GCCcore-11.3.0
pkgconf 1.8.0 N/A
pkgconf 1.8.0 GCCcore-11.3.0
pkg-config 0.29.2 GCCcore-11.3.0
pkgconfig 1.5.5 GCCcore-11.3.0-python
PLUMED 2.8.0 foss-2022a
PMIx 4.2.2 GCCcore-11.3.0
popt 1.18 N/A
POV-Ray 3.7.0.10 GCC-11.3.0
PROJ 9.0.0 GCCcore-11.3.0
protobuf 3.19.4 GCCcore-11.3.0
protobuf 3.20.1 GCCcore-11.3.0
protobuf-python 3.19.4 GCCcore-11.3.0
protobuf-python 3.20.1 GCCcore-11.3.0
pscom 5.5.0 1-GCCcore-11.3.0
pscom 5.5.0 1-GCCcore-11.3.0-CUDA-11.7.0 Yes
psmpi 5.6.0 1-GCC-11.3.0
psmpi 5.6.0 1-GCC-11.3.0-CUDA-11.7.0 Yes
pybind11 2.9.2 GCCcore-11.3.0
PySCF 2.0.1 foss-2022a
Python 2.7.18 GCCcore-11.3.0-bare
Python 3.10.4 GCCcore-11.3.0
Python 3.10.4 GCCcore-11.3.0-bare
PyTorch 1.12.0 foss-2022a
PyTorch 1.12.0 foss-2022a-CUDA-11.7.0 Yes
PyYAML 6.0 GCCcore-11.3.0
Qhull 2020.2 GCCcore-11.3.0
QMCPACK 3.14.0 foss-2022a
qsimcirq 0.14.0 foss-2022a
Qt5 5.15.5 GCCcore-11.3.0
QuantumESPRESSO 7.1 foss-2022a
QuantumESPRESSO 7.1 nvompic-2022a-NVHPC-22.7
QUDA 1.1.0 foss-2022a-CUDA-11.7.0 Yes
R 4.2.1 foss-2022a
R 4.2.1 foss-2022a-bare
RapidJSON 1.1.0 GCCcore-11.3.0
RE2 2022 06-01-GCCcore-11.3.0
re2c 2.2 GCCcore-11.3.0
ReFrame 3.12.0 N/A
Rust 1.60.0 GCCcore-11.3.0
s3cmd 2.2.0 N/A
ScaFaCoS 1.0.1 foss-2022a
ScaLAPACK 2.2.0 gompi-2022a-fb
Scalasca 2.6 gompi-2022a
Scalasca 2.6 gompi-2022a-CUDA-11.7.0 Yes
scikit-image 0.19.3 foss-2022a
scikit-learn 1.1.2 foss-2022a
SciPy-bundle 2022.05 foss-2022a
Score-P 7.1 gompi-2022a
Score-P 7.1 gompi-2022a-CUDA-11.7.0 Yes
SCOTCH 6.1.3 gompi-2022a
SCOTCH 7.0.1 gompi-2022a
SDL2 2.0.22 GCCcore-11.3.0
SentencePiece 0.1.96 GCC-11.3.0
Singularity-CE 3.10.2 GCCcore-11.3.0
SIONlib 1.7.7 GCCcore-11.3.0-tools
snappy 1.1.9 GCCcore-11.3.0
Spark 3.3.0 foss-2022a
Spark 3.3.0 foss-2022a-CUDA-11.7.0 Yes
SQLite 3.38.3 GCCcore-11.3.0
SuiteSparse 5.13.0 foss-2022a-METIS-5.1.0
SWIG 4.0.2 GCCcore-11.3.0
sympy 1.10.1 foss-2022a
Szip 2.1.1 GCCcore-11.3.0
tbb 2021.5.0 GCCcore-11.3.0
Tcl 8.6.12 GCCcore-11.3.0
TensorFlow 2.9.1 foss-2022a
Theano 1.1.2 foss-2022a-PyMC
Tk 8.6.12 GCCcore-11.3.0
Tkinter 3.10.4 GCCcore-11.3.0
torchtext 0.12.0 foss-2022a
torchvision 0.13.1 foss-2022a
torchvision 0.13.1 foss-2022a-CUDA-11.7.0 Yes
tqdm 4.64.0 GCCcore-11.3.0
typing-extensions 4.2.0 GCCcore-11.3.0
UCX 1.12.1 GCCcore-11.3.0
UCX 1.13.1 GCCcore-11.3.0
UCX-CUDA 1.12.1 GCCcore-11.3.0-CUDA-11.7.0 Yes
UCX-CUDA 1.13.1 GCCcore-11.3.0-CUDA-11.7.0 Yes
UDUNITS 2.2.28 GCCcore-11.3.0
UnZip 6.0 GCCcore-11.3.0
utf8proc 2.7.0 GCCcore-11.3.0
util-linux 2.38 GCCcore-11.3.0
Valgrind 3.19.0 gompi-2022a
VMD 1.9.4a57 foss-2022a
VMD 1.9.4a57 foss-2022a-CUDA-11.7.0 Yes
Voro++ 0.4.6 GCCcore-11.3.0
VTK 9.1.0 foss-2022a
VTune 2022.3.0 N/A
X11 20220504 GCCcore-11.3.0
x264 20220602 GCCcore-11.3.0
x265 3.5 GCCcore-11.3.0
XCFun 2.1.1 GCCcore-11.3.0
xorg-macros 1.19.3 GCCcore-11.3.0
xpmem 2.6.5 36-GCCcore-11.3.0
xprop 1.2.5 GCCcore-11.3.0
Xvfb 21.1.3 GCCcore-11.3.0
xxd 9.0.0034 GCCcore-11.3.0
XZ 5.2.5 GCCcore-11.3.0
Yasm 1.3.0 GCCcore-11.3.0
Z3 4.10.2 GCCcore-11.3.0
ZeroMQ 4.3.4 GCCcore-11.3.0
Zip 3.0 GCCcore-11.3.0
zlib 1.2.12 N/A
zlib 1.2.12 GCCcore-11.3.0
zstd 1.5.2 GCCcore-11.3.0

Requesting new software and features

You may request the installation of new applications or features through the servicedesk.lxp.lu. Depending on a project's requirements, new software may be installed in the corresponding project directory or in the global software stack. All new tools are first deployed in the Staging area for testing.

Environment modules

The environment modules system simplifies the use of applications and supporting libraries that may come in different versions and revisions. The software modules provide a way to easily switch between e.g. multiple revisions of the same application, where one revision may provide a set of functionality not available in another revision.

The core command by which software modules can be listed, loaded (activated), and unloaded (deactivated) is module, followed by an appropriate command.

The modules work by setting specific environment variables needed for the respective software program when the software module corresponding to the application is loaded. Often, this is simply adding the program to the $PATH variable, but software containing libraries and headers will also set $LD_LIBRARY_PATH. Any other variable that the software may need can be set and so the contents of the modules can be fairly simple or complex.

There are several advantages to using software modules to set up your environment, especially on a supercomputer:

  • ease of use
  • ability to revert to your previous environment
  • ability to easily switch your environment to try different versions of a program
    • e.g. when single and double-precision versions of the program exist
    • e.g. when a program has been compiled with different features that cannot coexist in a single build of the program
    • e.g. when a program has been compiled with different compilers or MPI suites

Using modules

The module command is only available on compute nodes and not on the login nodes. The applications provided through the software modules system must be used only on compute nodes.

MeluXina uses the Lmod software modules system, the table below summarizes the most common module commands:

Module Command Description
module avail List/browse available modules
module list Show modules currently loaded (active)
module load module_name Load a specific module (may load additional modules as dependencies)
module unload module_name Unload a loaded module (does not unload modules activated as dependencies)
module swap module_name1 module_name2 Unload module_name1 and load module_name2
module purge Unload all loaded modules
module reset Reset loaded modules to system defaults
module show module_name Display the contents of a selected module
module spider List all modules and the short description of each
module spider package Display the description and various versions available of an application
module use path Add path to the MODULEPATH search path

Using environment modules

  • Finding applications: module avail

To lists all available (loadable) modules and module groups. With the information of these two commands:

module avail
  • Listing loaded application profiles: module list

To get a list of all currently loaded modules:

module list
  • Loading or unloading application profiles: module load/unload

To load a specific module

module load <module_name>

Default version

In case of multiple software versions, one version will always be defined as the default version, and can be identified by its (D) mark in the module avail output. When loading a software module, if the version is not specified, the default is loaded (e.g. module load FFTW will activate FFTW/3.3.8-gompic-2020b if this is the default). Fully specifying the software module (name+version) should always be preferred to ensure that the correct version is being activated.

Unloading an environment module will undo the changes that module made to the environment, restoring any variables set to their previous values. To unload a specific module you can use the following:

module unload <module_name>
  • Unloading all profiles: module purge
module purge
  • Switching profiles: module switch

To swap a specific module for another one (especially useful to switch between different versions of the same program) use the following:

module switch <old_module_name> <new_module_name>