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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.

💡 Terminology : A software stack that is also sometimes called stack for short refers to a collection of software packages and their dependencies that are built and configured using a specific EasyBuild toolchain.
We release a new software stack at least once a year. The software stacks can be either: Production (current), Staging (preproduction envioronment for testing purposes), Maintained (previous, not updated with new tools/versions) or Retired (not maintained and should not be used any more).

MUSE release Based on EasyBuild toolchain(s) Status Path
2023.1 2023a Default Production /apps/USE/easybuild/release/2023.1/modules/all/
2024.1 2024a Latest Production. Will be the default from 2025-02-15 /apps/USE/easybuild/release/2024.1/modules/all/
2024.1 2024a Latest Staging /apps/USE/easybuild/staging/2024.1/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 2024 production stack

Click to expand/collapse the table of modules
Category Software Name Software Version/Toolchain/Info
ai PyTorch 2.3.0-foss-2024a-CUDA-12.6.0
RAPIDS 24.10-foss-2024a-CUDA-12.6.0
base cirq-core 1.4.1-foss-2024a
Kokkos 4.4.1-GCC-13.3.0-CUDA-12.6.0
Kokkos 4.4.1-GCC-13.3.0
bio cooler 0.10.2-foss-2024a
cuDF 24.10.0-foss-2024a-CUDA-12.6.0
dask-cuDF 24.10.0-foss-2024a-CUDA-12.6.0
GROMACS 2024.3-foss-2024a-CUDA-12.6.0-PLUMED-2.9.2
GROMACS 2024.3-foss-2024a
pyfaidx 0.8.1.2-GCCcore-13.3.0
Seaborn 0.13.2-gfbf-2024a
cae OpenFOAM 12-foss-2024a
Zoltan 3.901-foss-2024a
chem DBCSR 2.7.0-foss-2024a-CUDA-12.6.0
Libint 2.7.2-GCC-13.3.0-lmax-6-cp2k
libxc 6.2.2-GCC-13.3.0
ORCA 6.0.0-gompi-2024a
PLUMED 2.9.2-foss-2024a
spglib 2.0.2-GCCcore-13.3.0
Wannier90 3.1.0-foss-2024a
Wannier90 3.1.0-intel-2024a
compiler AOCC 5.0.0-GCCcore-13.3.0
Clang 18.1.8-GCCcore-13.3.0
GCC 13.3.0
GCCcore 13.3.0
Go 1.22.1
intel-compilers 2024.2.0
intel-oneapi 2024.2.1
LLVM 18.1.8-GCCcore-13.3.0
NVHPC 24.9-CUDA-12.6.0
data Arrow 17.0.0-gfbf-2024a
BeautifulSoup 4.12.3-GCCcore-13.3.0
dask 2024.9.0-gfbf-2024a
Fiona 1.10.1-foss-2024a
GDAL 3.9.3-foss-2024a
h5py 3.11.0-foss-2024a-CUDA-12.6.0
h5py 3.11.0-foss-2024a
HDF 4.2.16-2-GCCcore-13.3.0
HDF5 1.14.3-gompi-2024a
HDF5 1.14.3-iimpi-2024a
LAME 3.100-GCCcore-13.3.0
netCDF 4.9.2-gompi-2024a
netCDF 4.9.2-iimpi-2024a
netCDF-C++4 4.3.1-gompi-2024a
netCDF-C++4 4.3.1-iimpi-2024a
netCDF-Fortran 4.6.1-gompi-2024a
netCDF-Fortran 4.6.1-iimpi-2024a
PostgreSQL 16.4-GCCcore-13.3.0
pyproj 3.7.0-GCCcore-13.3.0
scikit-learn 1.5.2-gfbf-2024a
xarray 2024.9.0-gfbf-2024a
debugger GDB 14.2-GCCcore-13.3.0
Valgrind 3.24.0-gompi-2024a
devel Autoconf 2.72-GCCcore-13.3.0
Automake 1.16.5-GCCcore-13.3.0
Autotools 20231222-GCCcore-13.3.0
Boost 1.85.0-GCC-13.3.0
CMake 3.29.3-GCCcore-13.3.0
cuQuantum-Python 24.8.0.2-foss-2024a-CUDA-12.6.0
DBus 1.15.8-GCCcore-13.3.0
Doxygen 1.11.0-GCCcore-13.3.0
flatbuffers 24.3.25-GCCcore-13.3.0
flatbuffers-python 24.3.25-GCCcore-13.3.0
fonttools 4.53.1-GCCcore-13.3.0
GObject-Introspection 1.80.1-GCCcore-13.3.0
gperf 3.1-GCCcore-13.3.0
Greenlet 3.1.0-GCCcore-13.3.0
intltool 0.51.0-GCCcore-13.3.0
libdwarf 0.11.0-GCCcore-13.3.0
libgit2 1.8.1-GCCcore-13.3.0
M4 1.4.18
M4 1.4.19-GCCcore-13.3.0
M4 1.4.19
make 4.4.1-GCCcore-13.3.0
makeinfo 7.1-GCCcore-13.3.0
Mako 1.3.5-GCCcore-13.3.0
ncurses 5.9
ncurses 6.3
ncurses 6.5-GCCcore-13.3.0
ncurses 6.5
nsync 1.29.2-GCCcore-13.3.0
NVSHMEM 3.0.6-gompi-2024a-CUDA-12.6.0
PCRE2 10.43-GCCcore-13.3.0
PCRE 8.45-GCCcore-13.3.0
pkgconf 1.8.0
pkgconf 2.2.0-GCCcore-13.3.0
pkgconf 2.2.0
pkg-config 0.29.2
pkgconfig 1.5.5-GCCcore-13.3.0-python
protobuf 28.0-GCCcore-13.3.0
protobuf-python 5.28.0-GCCcore-13.3.0
pydantic 2.9.1-GCCcore-13.3.0
PyZMQ 26.2.0-GCCcore-13.3.0
qsimcirq 0.21.0-foss-2024a
Qt6 6.8.0-GCCcore-13.3.0
ReFrame 4.6.2-GCCcore-13.3.0
SQLite 3.45.3-GCCcore-13.3.0
SWIG 4.2.1-GCCcore-13.3.0
typing-extensions 4.11.0-GCCcore-13.3.0
xorg-macros 1.20.1-GCCcore-13.3.0
ZeroMQ 4.3.5-GCCcore-13.3.0
geo geopandas 1.0.1-foss-2024a
lang Bison 3.8.2-GCCcore-13.3.0
Bison 3.8.2
Cython 3.0.10-GCCcore-13.3.0
flex 2.6.4-GCCcore-13.3.0
flex 2.6.4
FriBidi 1.0.15-GCCcore-13.3.0
Java 11.0.20
Java 21.0.5
Java .modulerc
Julia 1.11.0-linux-x86_64
Lua 5.4.7-GCCcore-13.3.0
NASM 2.16.03-GCCcore-13.3.0
nodejs 20.13.1-GCCcore-13.3.0
numba 0.60.0-foss-2024a
Perl 5.38.0
Perl 5.38.2-GCCcore-13.3.0
Perl-bundle-CPAN 5.38.2-GCCcore-13.3.0
Python 3.12.3-GCCcore-13.3.0
Python-bundle-PyPI 2024.06-GCCcore-13.3.0
R 4.4.1-gfbf-2024a
Rust 1.78.0-GCCcore-13.3.0
Rust 1.79.0-GCCcore-13.3.0
SciPy-bundle 2024.05-gfbf-2024a
Tcl 8.6.14-GCCcore-13.3.0
Tkinter 3.12.3-GCCcore-13.3.0
Yasm 1.3.0-GCCcore-13.3.0
lib Abseil 20240722.0-GCCcore-13.3.0
aiohttp 3.10.5-GCCcore-13.3.0
Brotli 1.1.0-GCCcore-13.3.0
Brunsli 0.1-GCCcore-13.3.0
Catch2 2.13.10-GCCcore-13.3.0
CFITSIO 4.4.1-GCCcore-13.3.0
Check 0.15.2-GCCcore-13.3.0
CUDA-Python 12.6.0-gfbf-2024a-CUDA-12.6.0
cuQuantum 24.08.0.5-CUDA-12.6.0
double-conversion 3.3.0-GCCcore-13.3.0
dtcmp 1.1.5-gompi-2024a
elfutils 0.191-GCCcore-13.3.0
ffnvcodec 12.0.16.0
ffnvcodec 12.2.72.0
FLAC 1.4.3-GCCcore-13.3.0
Flask 3.0.3-GCCcore-13.3.0
FlexiBLAS 3.4.4-GCC-13.3.0
FUSE 2.9.7-GCCcore-13.3.0
FUSE 3.16.2-GCCcore-13.3.0
GDRCopy 2.4.1-GCCcore-13.3.0
giflib 5.2.1-GCCcore-13.3.0
giflib 5.2.2-GCCcore-13.3.0
GitPython 3.1.43-GCCcore-13.3.0
GLM 1.0.1-GCCcore-13.3.0
gocryptfs 2.4.0-GCCcore-13.3.0
Graphene 1.10.8-GCCcore-13.3.0
graphite2 1.3.14-GCCcore-13.3.0
Highway 1.2.0-GCCcore-13.3.0
ICU 74.1-GCCcore-13.3.0
ICU 75.1-GCCcore-13.3.0
Imath 3.1.11-GCCcore-13.3.0
jemalloc 5.3.0-GCCcore-13.3.0
json-c 0.17-GCCcore-13.3.0
JsonCpp 1.9.5-GCCcore-13.3.0
LERC 4.0.0-GCCcore-13.3.0
libcircle 0.3-gompi-2024a
libdrm 2.4.122-GCCcore-13.3.0
libepoxy 1.5.10-GCCcore-13.3.0
libevent 2.1.12-GCCcore-13.3.0
libfabric 1.21.0-GCCcore-13.3.0
libffi 3.4.5-GCCcore-13.3.0
libgd 2.3.3-GCCcore-13.3.0
libgeotiff 1.7.3-GCCcore-13.3.0
libglvnd 1.7.0-GCCcore-13.3.0
libiconv 1.17-GCCcore-13.3.0
libjpeg-turbo 3.0.1-GCCcore-13.3.0
libogg 1.3.5-GCCcore-13.3.0
libopus 1.5.2-GCCcore-13.3.0
libpng 1.6.43-GCCcore-13.3.0
libreadline 8.2-GCCcore-13.3.0
libsndfile 1.2.2-GCCcore-13.3.0
libsodium 1.0.20-GCCcore-13.3.0
LibTIFF 4.6.0-GCCcore-13.3.0
libtirpc 1.3.5-GCCcore-13.3.0
libtool 2.4.7-GCCcore-13.3.0
libtool 2.4.7
libunwind 1.8.1-GCCcore-13.3.0
libvorbis 1.3.7-GCCcore-13.3.0
libvori 220621-GCCcore-13.3.0
libwebp 1.4.0-GCCcore-13.3.0
libxml2 2.12.7-GCCcore-13.3.0
libxslt 1.1.42-GCCcore-13.3.0
libyaml 0.2.5-GCCcore-13.3.0
lwgrp 1.0.6-gompi-2024a
lxml 5.3.0-GCCcore-13.3.0
lz4 1.9.4-GCCcore-13.3.0
mpi4py 4.0.0-gompi-2024a
mpi4py 4.0.1-gompi-2024a
NCCL 2.22.3-GCCcore-13.3.0-CUDA-12.6.0
nettle 3.10-GCCcore-13.3.0
nlohmann_json 3.11.3-GCCcore-13.3.0
NSPR 4.35-GCCcore-13.3.0
NSS 3.104-GCCcore-13.3.0
OpenJPEG 2.5.2-GCCcore-13.3.0
optree 0.11.0-GCCcore-13.3.0
PMIx 4.2.6-GCCcore-13.3.0
PMIx 5.0.2-GCCcore-13.3.0
pocl 6.0-GCC-13.3.0
popt 1.18
popt 1.19
PROJ 9.4.1-GCCcore-13.3.0
PRRTE 3.0.5-GCCcore-13.3.0
psutil 6.0.0-GCCcore-13.3.0
psycopg2 2.9.9-GCCcore-13.3.0
psycopg 3.2.3-GCCcore-13.3.0
pybind11 2.12.0-GCC-13.3.0
pybind11 2.13.6-GCC-13.3.0
PyYAML 6.0.2-GCCcore-13.3.0
RapidJSON 1.1.0-20240815-GCCcore-13.3.0
RE2 2024-07-02-GCCcore-13.3.0
scikit-build 0.17.6-GCCcore-13.3.0
scikit-build-core 0.10.6-GCCcore-13.3.0
SDL2 2.30.6-GCCcore-13.3.0
SIONlib 1.7.7-GCCcore-13.3.0-tools
snappy 1.2.1-GCCcore-13.3.0
SQLAlchemy 2.0.35-GCCcore-13.3.0
squashfuse 0.5.2-GCCcore-13.3.0
tbb 2021.13.0-GCCcore-13.3.0
tornado 6.4.1-GCCcore-13.3.0
tqdm 4.66.5-GCCcore-13.3.0
UCC 1.3.0-GCCcore-13.3.0
UCC-CUDA 1.3.0-GCCcore-13.3.0-CUDA-12.6.0
UCX 1.16.0-GCCcore-13.3.0
UCX-CUDA 1.16.0-GCCcore-13.3.0-CUDA-12.6.0
utf8proc 2.9.0-GCCcore-13.3.0
Xerces-C++ 3.3.0-GCCcore-13.3.0
zlib 1.2.13
zlib 1.3.1-GCCcore-13.3.0
zlib 1.3.1
zstd 1.5.6-GCCcore-13.3.0
math Eigen 3.4.0-GCCcore-13.3.0
GEOS 3.13.0-GCC-13.3.0
GMP 6.3.0-GCCcore-13.3.0
gmpy2 2.2.0-GCCcore-13.3.0
ISL 0.26-GCCcore-13.3.0
libcerf 2.4-GCCcore-13.3.0
libxsmm 1.17-GCC-13.3.0
magma 2.8.0-foss-2024a-CUDA-12.6.0
MCR R2024a.4
METIS 5.1.0-GCCcore-13.3.0
MPC 1.3.1-GCCcore-13.3.0
MPFR 4.2.1-GCCcore-13.3.0
MUMPS 5.7.3-foss-2024a-metis
ParMETIS 4.0.3-gompi-2024a
Qhull 2020.2-GCCcore-13.3.0
rustworkx 0.15.1-foss-2024a
SCOTCH 7.0.5-gompi-2024a
Shapely 2.0.6-gfbf-2024a
sympy 1.13.3-gfbf-2024a
mpi impi 2021.13.0-intel-compilers-2024.2.0
MPICH 4.2.2-GCC-13.3.0
OpenMPI 5.0.3-GCC-13.3.0
OpenMPI 5.0.3-NVHPC-24.9-CUDA-12.6.0
psmpi 5.10.0-1-GCC-13.3.0-CUDA-12.6.0
psmpi 5.10.0-1-GCC-13.3.0
numlib Armadillo 14.0.2-foss-2024a
arpack-ng 3.9.1-foss-2024a
BLIS 1.0-GCC-13.3.0
CGAL 5.6.1-GCCcore-13.3.0
cuDNN 9.5.0.50-CUDA-12.6.0
FFTW 3.3.10-GCC-13.3.0
FFTW.MPI 3.3.10-gompi-2024a
GSL 2.8-GCC-13.3.0
Hypre 2.31.0-foss-2024a
imkl 2024.2.0
imkl-FFTW 2024.2.0-iimpi-2024a
NLopt 2.7.1-GCCcore-13.3.0
OpenBLAS 0.3.27-GCC-13.3.0
PETSc 3.22.0-foss-2024a
ScaLAPACK 2.2.0-gompi-2024a-fb
SuiteSparse 7.8.2-foss-2024a
SuperLU_DIST 9.0.0-foss-2024a
perf AMD-uProf 5.0.1479
CubeLib 4.8.2-GCCcore-13.3.0
CubeWriter 4.8.2-GCCcore-13.3.0
Extrae 4.2.0-gompi-2024a
OPARI2 2.0.8-GCCcore-13.3.0
OSU-Micro-Benchmarks 7.4-gompi-2024a
OSU-Micro-Benchmarks 7.4-iimpi-2024a
OTF2 3.0.3-GCCcore-13.3.0
PAPI 7.1.0-GCCcore-13.3.0
PDT 3.25.2-GCCcore-13.3.0
Score-P 8.4-gompi-2024a-CUDA-12.6.0
Score-P 8.4-gompi-2024a
quantum PennyLane 0.38.0-foss-2024a
PennyLane-Lightning 0.38.0-foss-2024a-CUDA-12.6.0
system CUDA 12.6.0
hwloc 2.10.0-GCCcore-13.3.0
libdeflate 1.20-GCCcore-13.3.0
libpciaccess 0.18.1-GCCcore-13.3.0
OpenPGM 5.2.122-GCCcore-13.3.0
OpenSSL 1.1
OpenSSL 3
toolchain foss 2024a
gfbf 2024a
gompi 2024a
iimpi 2024a
intel 2024a
tools Apptainer 1.3.4-GCCcore-13.3.0
archspec 0.2.4-GCCcore-13.3.0
attr 2.5.2-GCCcore-13.3.0
bcrypt 4.1.3-GCCcore-13.3.0
binutils 2.40
binutils 2.42-GCCcore-13.3.0
binutils 2.42
bokeh 3.5.0-gfbf-2024a
bzip2 1.0.8-GCCcore-13.3.0
cffi 1.16.0-GCCcore-13.3.0
configurable-http-proxy 4.6.2-GCCcore-13.3.0
cppy 1.2.1-GCCcore-13.3.0
cryptography 42.0.8-GCCcore-13.3.0
cURL 8.7.1-GCCcore-13.3.0
expat 2.6.2-GCCcore-13.3.0
expecttest 0.2.1-GCCcore-13.3.0
flit 3.9.0-GCCcore-13.3.0
gettext 0.22.5-GCCcore-13.3.0
gettext 0.22.5
Ghostscript 10.03.1-GCCcore-13.3.0
git 2.45.1-GCCcore-13.3.0
git-lfs 3.5.1
googletest 1.15.2-GCCcore-13.3.0
groff 1.23.0-GCCcore-13.3.0
gzip 1.13-GCCcore-13.3.0
hatch-jupyter-builder 0.9.1-GCCcore-13.3.0
hatchling 1.24.2-GCCcore-13.3.0
help2man 1.49.3-GCCcore-13.3.0
HPL 2.3-intel-2024a
hypothesis 6.103.1-GCCcore-13.3.0
ifpgasdk 20.4
Inspector 2024.2.0
IOR 4.0.0-gompi-2024a
IPython 8.27.0-GCCcore-13.3.0
itac 2021.10.0
itac 2022.2
jedi 0.19.1-GCCcore-13.3.0
JupyterHub 5.2.0-GCCcore-13.3.0
JupyterLab 4.2.5-GCCcore-13.3.0
jupyter-server 2.14.2-GCCcore-13.3.0
jupyter-server-proxy 4.4.0-GCCcore-13.3.0
libarchive 3.7.4-GCCcore-13.3.0
Linaro-Forge 24.0.5-GCC-13.3.0
MAQAO 2.20.1
maturin 1.6.0-GCCcore-13.3.0
Meson 1.4.0-GCCcore-13.3.0
meson-python 0.16.0-GCCcore-13.3.0
MLflow 2.17.2-gfbf-2024a
mpifileutils 0.11.1-gompi-2024a
networkx 3.4-gfbf-2024a
Ninja 1.12.1-GCCcore-13.3.0
numactl 2.0.18-GCCcore-13.3.0
parallel 20240722-GCCcore-13.3.0
patchelf 0.18.0-GCCcore-13.3.0
poetry 1.8.3-GCCcore-13.3.0
pscom 5.8.0-1-GCCcore-13.3.0-CUDA-12.6.0
pscom 5.8.0-1-GCCcore-13.3.0
PycURL 7.45.3-GCCcore-13.3.0
pytest-flakefinder 1.1.0-GCCcore-13.3.0
pytest-rerunfailures 14.0-GCCcore-13.3.0
pytest-shard 0.1.2-GCCcore-13.3.0
re2c 3.1-GCCcore-13.3.0
setuptools-rust 1.9.0-GCCcore-13.3.0
Szip 2.1.1-GCCcore-13.3.0
tcsh 6.24.13-GCCcore-13.3.0
tlparse 0.3.5-GCCcore-13.3.0
UnZip 6.0-GCCcore-13.3.0
util-linux 2.40-GCCcore-13.3.0
virtualenv 20.26.2-GCCcore-13.3.0
VTune 2024.3
wrapt 1.16.0-gfbf-2024a
xxd 9.1.0740-GCCcore-13.3.0
XZ 5.4.5-GCCcore-13.3.0
Z3 4.13.0-GCCcore-13.3.0
Zip 3.0-GCCcore-13.3.0
vis assimp 5.4.3-GCCcore-13.3.0
ATK 2.38.0-GCCcore-13.3.0
at-spi2-core 2.53.0-GCCcore-13.3.0
cairo 1.18.0-GCCcore-13.3.0
FFmpeg 7.0.2-GCCcore-13.3.0
fontconfig 2.15.0-GCCcore-13.3.0
freetype 2.13.2-GCCcore-13.3.0
Gdk-Pixbuf 2.42.11-GCCcore-13.3.0
GLib 2.80.4-GCCcore-13.3.0
gnuplot 6.0.1-GCCcore-13.3.0
GTK3 3.24.43-GCCcore-13.3.0
GTS 0.7.6-GCCcore-13.3.0
HarfBuzz 9.0.0-GCCcore-13.3.0
imageio 2.35.1-gfbf-2024a
ImageMagick 7.1.1-38-GCCcore-13.3.0
JasPer 4.2.4-GCCcore-13.3.0
jbigkit 2.1-GCCcore-13.3.0
libGLU 9.0.3-GCCcore-13.3.0
LittleCMS 2.16-GCCcore-13.3.0
matplotlib 3.9.2-gfbf-2024a
Mesa 24.1.3-GCCcore-13.3.0
OpenEXR 3.2.4-GCCcore-13.3.0
Pango 1.54.0-GCCcore-13.3.0
ParaView 5.13.0-foss-2024a
Pillow 10.4.0-GCCcore-13.3.0
Pillow-SIMD 10.4.0-GCCcore-13.3.0
pixman 0.43.4-GCCcore-13.3.0
scikit-image 0.24.0-foss-2024a
Tk 8.6.14-GCCcore-13.3.0
VTK 9.3.0-foss-2024a
Wayland 1.23.0-GCCcore-13.3.0
X11 20240607-GCCcore-13.3.0
x264 20240513-GCCcore-13.3.0
x265 3.6-GCCcore-13.3.0

The table below summarizes the software version changes between the 2023.1 release and the 2024.1 release stacks. If you choose to use this new stack, remember to update the software versions in your bash script for launching a SLURM job, as outlined in the table.

Click to expand/collapse the table of differences in the module versions between the release 2024.1 and the release 2023.1 stacks
versions available in release/2023.1 versions available in release/2024.1
software name
make 4.4.1-GCCcore-12.3.0 4.4.1-GCCcore-13.3.0
CUDA 11.7.0
12.1.1
12.2.0		 12.6.0
libtool 2.4.7
2.4.7-GCCcore-12.3.0		 2.4.7
2.4.7-GCCcore-13.3.0
FlexiBLAS 3.3.1-GCC-12.3.0 3.4.4-GCC-13.3.0
OpenEXR 3.1.7-GCCcore-12.3.0 3.2.4-GCCcore-13.3.0
re2c 3.1-GCCcore-12.3.0 3.1-GCCcore-13.3.0
git-lfs 3.4.0 3.5.1
libreadline 8.2-GCCcore-12.3.0 8.2-GCCcore-13.3.0
Extrae 4.0.6-gompi-2023a 4.2.0-gompi-2024a
x264 20230226-GCCcore-12.3.0 20240513-GCCcore-13.3.0
lxml 4.9.2-GCCcore-12.3.0 5.3.0-GCCcore-13.3.0
PennyLane-Lightning 0.37.0-foss-2023a-lightning_qubit
0.37.0-foss-2023a-CUDA-12.2.0-lightning_gpu		 0.38.0-foss-2024a-CUDA-12.6.0
Tk 8.6.13-GCCcore-12.3.0 8.6.14-GCCcore-13.3.0
IOR 3.3.0-gompi-2023a 4.0.0-gompi-2024a
OpenJPEG 2.5.0-GCCcore-12.3.0 2.5.2-GCCcore-13.3.0
cuDNN 8.9.2.26-CUDA-12.2.0
8.9.2.26-CUDA-12.1.1
8.8.0.121-CUDA-12.2.0		 9.5.0.50-CUDA-12.6.0
OpenSSL 1.1 1.1
3
Doxygen 1.9.7-GCCcore-12.3.0 1.11.0-GCCcore-13.3.0
FriBidi 1.0.12-GCCcore-12.3.0 1.0.15-GCCcore-13.3.0
xorg-macros 1.20.0-GCCcore-12.3.0 1.20.1-GCCcore-13.3.0
GMP 6.2.1-GCCcore-12.3.0 6.3.0-GCCcore-13.3.0
CubeWriter 4.8.1-GCCcore-12.3.0 4.8.2-GCCcore-13.3.0
cooler 0.10.2-foss-2023a 0.10.2-foss-2024a
gzip 1.12-GCCcore-12.3.0 1.13-GCCcore-13.3.0
NSS 3.89.1-GCCcore-12.3.0 3.104-GCCcore-13.3.0
itac 2021.10.0 2022.2
2021.10.0
zlib 1.2.11-GCCcore-10.2.0
1.2.11
1.2.13
1.2.12
1.2.13-GCCcore-12.3.0		 1.2.13
1.3.1
1.3.1-GCCcore-13.3.0
imkl 2023.1.0 2024.2.0
libgd 2.3.3-GCCcore-12.3.0 2.3.3-GCCcore-13.3.0
ImageMagick 7.1.1-15-GCCcore-12.3.0 7.1.1-38-GCCcore-13.3.0
Shapely 2.0.1-gfbf-2023a-python-3.10.8 2.0.6-gfbf-2024a
psmpi 5.9.2-1-GCC-12.3.0
5.9.2-1-GCC-12.3.0-CUDA-12.2.0		 5.10.0-1-GCC-13.3.0
5.10.0-1-GCC-13.3.0-CUDA-12.6.0
libiconv 1.17-GCCcore-12.3.0 1.17-GCCcore-13.3.0
Z3 4.12.2-GCCcore-12.3.0
4.12.2-GCCcore-12.3.0-Python-3.11.3		 4.13.0-GCCcore-13.3.0
VTK 9.3.0-foss-2023a 9.3.0-foss-2024a
Lua 5.4.6-GCCcore-12.3.0 5.4.7-GCCcore-13.3.0
pytest-flakefinder 1.1.0-GCCcore-12.3.0 1.1.0-GCCcore-13.3.0
Julia 1.9.3-linux-x86_64
1.10.0-linux-x86_64		 1.11.0-linux-x86_64
giflib 5.2.1-GCCcore-12.3.0 5.2.2-GCCcore-13.3.0
5.2.1-GCCcore-13.3.0
ParaView 5.11.2-foss-2023a 5.13.0-foss-2024a
libdrm 2.4.115-GCCcore-12.3.0 2.4.122-GCCcore-13.3.0
SuiteSparse 5.13.0-foss-2023a-METIS-5.1.0
7.1.0-foss-2023a		 7.8.2-foss-2024a
libxc 6.2.2-GCC-12.3.0
6.2.2-intel-compilers-2023.1.0		 6.2.2-GCC-13.3.0
dtcmp 1.1.4-gompi-2023a 1.1.5-gompi-2024a
expecttest 0.1.5-GCCcore-12.3.0 0.2.1-GCCcore-13.3.0
GCC 12.3.0 13.3.0
UCX-CUDA 1.14.1-GCCcore-12.3.0-CUDA-12.1.1
1.14.1-GCCcore-12.3.0-CUDA-11.7.0
1.14.1-GCCcore-12.3.0-CUDA-12.2.0		 1.16.0-GCCcore-13.3.0-CUDA-12.6.0
qsimcirq 0.17.0-foss-2023a 0.21.0-foss-2024a
JupyterLab 4.0.9-GCCcore-12.3.0
4.0.5-GCCcore-12.3.0		 4.2.5-GCCcore-13.3.0
libepoxy 1.5.10-GCCcore-12.3.0 1.5.10-GCCcore-13.3.0
ICU 73.2-GCCcore-12.3.0 75.1-GCCcore-13.3.0
74.1-GCCcore-13.3.0
bokeh 3.2.2-foss-2023a 3.5.0-gfbf-2024a
RapidJSON 1.1.0-20230928-GCCcore-12.3.0 1.1.0-20240815-GCCcore-13.3.0
ORCA 5.0.4-gompi-2023a 6.0.0-gompi-2024a
impi 2021.9.0-intel-compilers-2023.1.0 2021.13.0-intel-compilers-2024.2.0
Python-bundle-PyPI 2023.06-GCCcore-12.3.0-python-3.10.8
2023.06-GCCcore-12.3.0		 2024.06-GCCcore-13.3.0
libffi 3.4.4-GCCcore-12.3.0 3.4.5-GCCcore-13.3.0
libunwind 1.6.2-GCCcore-12.3.0 1.8.1-GCCcore-13.3.0
PETSc 3.20.3-foss-2023a
3.19.4-foss-2023a		 3.22.0-foss-2024a
git 2.41.0-GCCcore-12.3.0-nodocs 2.45.1-GCCcore-13.3.0
Pillow 10.0.0-GCCcore-12.3.0
10.0.0-GCCcore-12.3.0-python-3.10.8		 10.4.0-GCCcore-13.3.0
Score-P 8.1-gompi-2023a-CUDA-12.2.0
8.1-gompi-2023a		 8.4-gompi-2024a-CUDA-12.6.0
8.4-gompi-2024a
SCOTCH 7.0.3-gompi-2023a 7.0.5-gompi-2024a
LLVM 16.0.6-GCCcore-12.3.0-python-3.10.8
16.0.6-GCCcore-12.3.0		 18.1.8-GCCcore-13.3.0
Imath 3.1.7-GCCcore-12.3.0 3.1.11-GCCcore-13.3.0
hwloc 2.9.1-GCCcore-12.3.0 2.10.0-GCCcore-13.3.0
netCDF-C++4 4.3.1-gompi-2023a
4.3.1-iimpi-2023a		 4.3.1-gompi-2024a
4.3.1-iimpi-2024a
PyZMQ 25.1.1-GCCcore-12.3.0 26.2.0-GCCcore-13.3.0
ScaLAPACK 2.2.0-gompi-2023a-fb 2.2.0-gompi-2024a-fb
Abseil 20230125.2-GCCcore-12.3.0
20230125.3-GCCcore-12.3.0		 20240722.0-GCCcore-13.3.0
libsndfile 1.2.2-GCCcore-12.3.0 1.2.2-GCCcore-13.3.0
OPARI2 2.0.7-GCCcore-12.3.0 2.0.8-GCCcore-13.3.0
Wayland 1.22.0-GCCcore-12.3.0 1.23.0-GCCcore-13.3.0
typing-extensions 4.8.0-GCCcore-12.3.0 4.11.0-GCCcore-13.3.0
foss 2023a 2024a
imkl-FFTW 2023.1.0-iimpi-2023a 2024.2.0-iimpi-2024a
libgeotiff 1.7.1-GCCcore-12.3.0 1.7.3-GCCcore-13.3.0
R 4.3.2-gfbf-2023a
4.3.2-foss-2023a-bare		 4.4.1-gfbf-2024a
MUMPS 5.6.1-foss-2023a-metis
5.5.1-foss-2023a-metis		 5.7.3-foss-2024a-metis
fontconfig 2.14.2-GCCcore-12.3.0 2.15.0-GCCcore-13.3.0
pyfaidx 0.8.1.1-GCCcore-12.3.0 0.8.1.2-GCCcore-13.3.0
Inspector 2023.2.0 2024.2.0
BeautifulSoup 4.12.2-GCCcore-12.3.0 4.12.3-GCCcore-13.3.0
libsodium 1.0.18-GCCcore-12.3.0 1.0.20-GCCcore-13.3.0
expat 2.5.0-GCCcore-12.3.0 2.6.2-GCCcore-13.3.0
h5py 3.2.1-foss-2023a
3.9.0-foss-2023a-CUDA-12.2.0
3.9.0-foss-2023a		 3.11.0-foss-2024a-CUDA-12.6.0
3.11.0-foss-2024a
flatbuffers-python 23.5.26-GCCcore-12.3.0 24.3.25-GCCcore-13.3.0
Valgrind 3.21.0-gompi-2023a 3.24.0-gompi-2024a
GDRCopy 2.3.1-GCCcore-12.3.0 2.4.1-GCCcore-13.3.0
GDB 13.2-GCCcore-12.3.0 14.2-GCCcore-13.3.0
Rust 1.70.0-GCCcore-12.3.0
1.75.0-GCCcore-12.3.0		 1.79.0-GCCcore-13.3.0
1.78.0-GCCcore-13.3.0
OSU-Micro-Benchmarks 7.2-gompi-2023a-CUDA-12.2.0
7.2-gompi-2023a		 7.4-iimpi-2024a
7.4-gompi-2024a
gettext 0.21.1
0.21.1-GCCcore-12.3.0
0.21		 0.22.5-GCCcore-13.3.0
0.22.5
protobuf 24.0-GCCcore-12.3.0 28.0-GCCcore-13.3.0
mpi4py 3.1.4-gompi-2023a 4.0.1-gompi-2024a
4.0.0-gompi-2024a
Hypre 2.29.0-foss-2023a
2.28.0-foss-2023a		 2.31.0-foss-2024a
Eigen 3.4.0-GCCcore-12.3.0 3.4.0-GCCcore-13.3.0
PROJ 9.2.0-GCCcore-12.3.0 9.4.1-GCCcore-13.3.0
Qhull 2020.2-GCCcore-12.3.0 2020.2-GCCcore-13.3.0
IPython 8.14.0-GCCcore-12.3.0 8.27.0-GCCcore-13.3.0
GCCcore 12.3.0
10.2.0		 13.3.0
Ninja 1.11.1-GCCcore-12.3.0
1.11.1-GCCcore-12.3.0-python-3.10.8		 1.12.1-GCCcore-13.3.0
SuperLU_DIST 8.1.2-foss-2023a 9.0.0-foss-2024a
GSL 2.7-GCC-12.3.0 2.8-GCC-13.3.0
Brunsli 0.1-GCCcore-12.3.0 0.1-GCCcore-13.3.0
at-spi2-core 2.49.91-GCCcore-12.3.0 2.53.0-GCCcore-13.3.0
flex 2.6.4-GCCcore-10.2.0
2.6.4
2.6.4-GCCcore-12.3.0		 2.6.4
2.6.4-GCCcore-13.3.0
Check 0.15.2-GCCcore-12.3.0 0.15.2-GCCcore-13.3.0
PLUMED 2.9.0-foss-2023a 2.9.2-foss-2024a
ReFrame 4.4.0 4.6.2-GCCcore-13.3.0
libxslt 1.1.38-GCCcore-12.3.0 1.1.42-GCCcore-13.3.0
OpenPGM 5.2.122-GCCcore-12.3.0 5.2.122-GCCcore-13.3.0
Catch2 2.13.9 2.13.10-GCCcore-13.3.0
LERC 4.0.0-GCCcore-12.3.0 4.0.0-GCCcore-13.3.0
Perl-bundle-CPAN 5.36.1-GCCcore-12.3.0 5.38.2-GCCcore-13.3.0
patchelf 0.18.0-GCCcore-12.3.0 0.18.0-GCCcore-13.3.0
help2man 1.47.16-GCCcore-10.2.0
1.49.3-GCCcore-12.3.0		 1.49.3-GCCcore-13.3.0
pybind11 2.11.1-GCCcore-12.3.0
2.11.1-GCCcore-12.3.0-python-3.10.8		 2.13.6-GCC-13.3.0
2.12.0-GCC-13.3.0
FFTW.MPI 3.3.10-gompi-2023a 3.3.10-gompi-2024a
jbigkit 2.1-GCCcore-12.3.0 2.1-GCCcore-13.3.0
SciPy-bundle 2023.07-gfbf-2023a-python-3.10.8
2023.07-gfbf-2023a		 2024.05-gfbf-2024a
LittleCMS 2.15-GCCcore-12.3.0 2.16-GCCcore-13.3.0
libGLU 9.0.3-GCCcore-12.3.0 9.0.3-GCCcore-13.3.0
OpenBLAS 0.3.23-GCC-12.3.0 0.3.27-GCC-13.3.0
X11 20230603-GCCcore-12.3.0 20240607-GCCcore-13.3.0
PyYAML 6.0-GCCcore-12.3.0 6.0.2-GCCcore-13.3.0
utf8proc 2.8.0-GCCcore-12.3.0 2.9.0-GCCcore-13.3.0
MCR R2023a R2024a.4
ffnvcodec 12.0.16.0 12.0.16.0
12.2.72.0
Perl 5.36.1-GCCcore-12.3.0 5.38.2-GCCcore-13.3.0
5.38.0
PCRE2 10.42-GCCcore-12.3.0 10.43-GCCcore-13.3.0
maturin 1.4.0-GCCcore-12.3.0-Rust-1.75.0
1.1.0-GCCcore-12.3.0
1.4.0-GCCcore-12.3.0-Rust-1.70.0		 1.6.0-GCCcore-13.3.0
jemalloc 5.3.0-GCCcore-12.3.0 5.3.0-GCCcore-13.3.0
imageio 2.33.1-gfbf-2023a 2.35.1-gfbf-2024a
libarchive 3.4.3-GCCcore-10.2.0
3.6.2-GCCcore-12.3.0		 3.7.4-GCCcore-13.3.0
libopus 1.4-GCCcore-12.3.0 1.5.2-GCCcore-13.3.0
poetry 1.5.1-GCCcore-12.3.0
1.5.1-GCCcore-12.3.0-python-3.10.8		 1.8.3-GCCcore-13.3.0
zstd 1.5.5-GCCcore-12.3.0 1.5.6-GCCcore-13.3.0
PyTorch 2.1.2-foss-2023a-CUDA-12.1.1 2.3.0-foss-2024a-CUDA-12.6.0
libtirpc 1.3.3-GCCcore-12.3.0 1.3.5-GCCcore-13.3.0
numactl 2.0.16-GCCcore-12.3.0 2.0.18-GCCcore-13.3.0
ISL 0.26-GCCcore-12.3.0 0.26-GCCcore-13.3.0
pkgconfig 1.5.5-GCCcore-12.3.0-python 1.5.5-GCCcore-13.3.0-python
makeinfo 7.0.3-GCCcore-12.3.0 7.1-GCCcore-13.3.0
GLM 0.9.9.8-GCCcore-12.3.0 1.0.1-GCCcore-13.3.0
UnZip 6.0-GCCcore-12.3.0 6.0-GCCcore-13.3.0
Highway 1.0.4-GCCcore-12.3.0 1.2.0-GCCcore-13.3.0
Zip 3.0-GCCcore-12.3.0 3.0-GCCcore-13.3.0
FLAC 1.4.2-GCCcore-12.3.0 1.4.3-GCCcore-13.3.0
aiohttp 3.8.5-GCCcore-12.3.0 3.10.5-GCCcore-13.3.0
nsync 1.26.0-GCCcore-12.3.0 1.29.2-GCCcore-13.3.0
M4 1.4.19
1.4.19-GCCcore-12.3.0
1.4.18-GCCcore-10.2.0
1.4.18		 1.4.19
1.4.18
1.4.19-GCCcore-13.3.0
util-linux 2.39-GCCcore-12.3.0 2.40-GCCcore-13.3.0
CMake 3.26.3-GCCcore-12.3.0
3.18.4-GCCcore-10.2.0
3.18.4		 3.29.3-GCCcore-13.3.0
scikit-build 0.17.6-GCCcore-12.3.0
0.17.6-GCCcore-12.3.0-python-3.10.8		 0.17.6-GCCcore-13.3.0
Pillow-SIMD 9.5.0-GCCcore-12.3.0 10.4.0-GCCcore-13.3.0
FFTW 3.3.10-GCC-12.3.0 3.3.10-GCC-13.3.0
snappy 1.1.10-GCCcore-12.3.0 1.2.1-GCCcore-13.3.0
scikit-image 0.22.0-foss-2023a 0.24.0-foss-2024a
protobuf-python 4.24.0-GCCcore-12.3.0 5.28.0-GCCcore-13.3.0
GROMACS 2023.3-foss-2023a
2023.3-foss-2023a-CUDA-12.2.0		 2024.3-foss-2024a-CUDA-12.6.0-PLUMED-2.9.2
2024.3-foss-2024a
Brotli 1.0.9-GCCcore-12.3.0 1.1.0-GCCcore-13.3.0
METIS 5.1.0-GCCcore-12.3.0 5.1.0-GCCcore-13.3.0
OpenFOAM v2306-foss-2023a
v2312-foss-2023a
10-foss-2023a		 12-foss-2024a
tornado 6.3.2-GCCcore-12.3.0 6.4.1-GCCcore-13.3.0
Autoconf 2.71
2.71-GCCcore-12.3.0		 2.72-GCCcore-13.3.0
LibTIFF 4.5.0-GCCcore-12.3.0 4.6.0-GCCcore-13.3.0
libjpeg-turbo 2.1.5.1-GCCcore-12.3.0 3.0.1-GCCcore-13.3.0
ZeroMQ 4.3.4-GCCcore-12.3.0 4.3.5-GCCcore-13.3.0
graphite2 1.3.14-GCCcore-12.3.0 1.3.14-GCCcore-13.3.0
GEOS 3.12.0-GCC-12.3.0 3.13.0-GCC-13.3.0
libcircle 0.3-gompi-2023a 0.3-gompi-2024a
AMD-uProf 4.1.424 5.0.1479
Tkinter 3.11.3-GCCcore-12.3.0 3.12.3-GCCcore-13.3.0
pytest-shard 0.1.2-GCCcore-12.3.0 0.1.2-GCCcore-13.3.0
BLIS 0.9.0-GCC-12.3.0 1.0-GCC-13.3.0
libyaml 0.2.5-GCCcore-12.3.0 0.2.5-GCCcore-13.3.0
UCC-CUDA 1.2.0-GCCcore-12.3.0-CUDA-11.7.0
1.2.0-GCCcore-12.3.0-CUDA-12.2.0		 1.3.0-GCCcore-13.3.0-CUDA-12.6.0
scikit-learn 1.3.1-gfbf-2023a 1.5.2-gfbf-2024a
lz4 1.9.4-GCCcore-12.3.0 1.9.4-GCCcore-13.3.0
libcerf 2.3-GCCcore-12.3.0 2.4-GCCcore-13.3.0
Go 1.21.2
1.20.4		 1.22.1
netCDF 4.9.2-iimpi-2023a
4.9.2-gompi-2023a		 4.9.2-gompi-2024a
4.9.2-iimpi-2024a
CFITSIO 4.3.0-GCCcore-12.3.0 4.4.1-GCCcore-13.3.0
pixman 0.42.2-GCCcore-12.3.0 0.43.4-GCCcore-13.3.0
Automake 1.16.5-GCCcore-12.3.0
1.16.5		 1.16.5-GCCcore-13.3.0
JsonCpp 1.9.5-GCCcore-12.3.0 1.9.5-GCCcore-13.3.0
SDL2 2.28.2-GCCcore-12.3.0 2.30.6-GCCcore-13.3.0
setuptools-rust 1.6.0-GCCcore-12.3.0-python-3.10.8
1.6.0-GCCcore-12.3.0		 1.9.0-GCCcore-13.3.0
cURL 7.72.0-GCCcore-10.2.0
8.0.1-GCCcore-12.3.0		 8.7.1-GCCcore-13.3.0
double-conversion 3.3.0-GCCcore-12.3.0 3.3.0-GCCcore-13.3.0
FUSE 3.16.2-GCCcore-12.3.0
2.9.7-GCCcore-12.3.0
3.14.1-GCCcore-12.3.0		 3.16.2-GCCcore-13.3.0
2.9.7-GCCcore-13.3.0
libwebp 1.3.1-GCCcore-12.3.0 1.4.0-GCCcore-13.3.0
lwgrp 1.0.5-gompi-2023a 1.0.6-gompi-2024a
libdeflate 1.18-GCCcore-12.3.0 1.20-GCCcore-13.3.0
spglib 2.0.2-GCCcore-12.3.0 2.0.2-GCCcore-13.3.0
cppy 1.2.1-GCCcore-12.3.0 1.2.1-GCCcore-13.3.0
AOCC 4.0.0-GCCcore-12.3.0 5.0.0-GCCcore-13.3.0
Ghostscript 10.01.2-GCCcore-12.3.0 10.03.1-GCCcore-13.3.0
Kokkos 4.1.0-GCC-12.3.0 4.4.1-GCC-13.3.0
4.4.1-GCC-13.3.0-CUDA-12.6.0
Boost 1.82.0-GCC-12.3.0 1.85.0-GCC-13.3.0
tqdm 4.66.1-GCCcore-12.3.0 4.66.5-GCCcore-13.3.0
magma 2.7.2-foss-2023a-CUDA-12.2.0
2.7.2-foss-2023a-CUDA-12.1.1		 2.8.0-foss-2024a-CUDA-12.6.0
nlohmann_json 3.11.2-GCCcore-12.3.0 3.11.3-GCCcore-13.3.0
jupyter-server-proxy 4.0.0-GCCcore-12.3.0 4.4.0-GCCcore-13.3.0
matplotlib 3.7.2-gfbf-2023a 3.9.2-gfbf-2024a
VTune 2023.2.0 2024.3
GDAL 3.7.1-foss-2023a 3.9.3-foss-2024a
pytest-rerunfailures 12.0-GCCcore-12.3.0 14.0-GCCcore-13.3.0
NCCL 2.18.3-GCCcore-12.3.0-CUDA-12.1.1
2.18.3-GCCcore-12.3.0-CUDA-11.7.0
2.18.3-GCCcore-12.3.0-CUDA-12.2.0		 2.22.3-GCCcore-13.3.0-CUDA-12.6.0
iimpi 2023a 2024a
json-c 0.16-GCCcore-12.3.0 0.17-GCCcore-13.3.0
Szip 2.1.1-GCCcore-12.3.0 2.1.1-GCCcore-13.3.0
SQLite 3.42.0-GCCcore-12.3.0 3.45.3-GCCcore-13.3.0
gfbf 2023a 2024a
Armadillo 12.6.2-foss-2023a 14.0.2-foss-2024a
UCC 1.2.0-GCCcore-12.3.0 1.3.0-GCCcore-13.3.0
OpenMPI 4.1.5-GCC-12.3.0
4.1.5-NVHPC-23.7-CUDA-12.2.0		 5.0.3-NVHPC-24.9-CUDA-12.6.0
5.0.3-GCC-13.3.0
cryptography 41.0.1-GCCcore-12.3.0-python-3.10.8
41.0.1-GCCcore-12.3.0		 42.0.8-GCCcore-13.3.0
arpack-ng 3.9.0-foss-2023a 3.9.1-foss-2024a
pscom 5.7.0-1-GCCcore-12.3.0-CUDA-12.2.0
5.7.0-1-GCCcore-12.3.0		 5.8.0-1-GCCcore-13.3.0-CUDA-12.6.0
5.8.0-1-GCCcore-13.3.0
gperf 3.1-GCCcore-12.3.0 3.1-GCCcore-13.3.0
gompi 2023a 2024a
Meson 1.1.1-GCCcore-12.3.0
1.1.1-GCCcore-12.3.0-python-3.10.8		 1.4.0-GCCcore-13.3.0
JasPer 1.900.1-foss-2023a
2.0.33-GCCcore-12.3.0
4.0.0-GCCcore-12.3.0		 4.2.4-GCCcore-13.3.0
GTK3 3.24.37-GCCcore-12.3.0 3.24.43-GCCcore-13.3.0
psutil 5.9.8-GCCcore-12.3.0 6.0.0-GCCcore-13.3.0
dask 2023.9.2-foss-2023a 2024.9.0-gfbf-2024a
libpciaccess 0.17-GCCcore-12.3.0 0.18.1-GCCcore-13.3.0
GObject-Introspection 1.76.1-GCCcore-12.3.0 1.80.1-GCCcore-13.3.0
intel 2023a 2024a
virtualenv 20.23.1-GCCcore-12.3.0-python-3.10.8
20.23.1-GCCcore-12.3.0		 20.26.2-GCCcore-13.3.0
Tcl 8.6.13-GCCcore-12.3.0 8.6.14-GCCcore-13.3.0
PAPI 7.0.1-GCCcore-12.3.0 7.1.0-GCCcore-13.3.0
libvori 220621-GCCcore-12.3.0 220621-GCCcore-13.3.0
pkgconf 1.8.0
1.9.5-GCCcore-12.3.0		 2.2.0
1.8.0
2.2.0-GCCcore-13.3.0
HDF5 1.14.0-gompi-2023a
1.14.0-iimpi-2023a
1.10.7-gompi-2023a		 1.14.3-iimpi-2024a
1.14.3-gompi-2024a
mpifileutils 0.11.1-foss-2023a 0.11.1-gompi-2024a
Apptainer 1.2.4-GCCcore-12.3.0
1.3.1-GCCcore-12.3.0		 1.3.4-GCCcore-13.3.0
Linaro-Forge 23.0.3-GCC-12.3.0 24.0.5-GCC-13.3.0
PennyLane 0.37.0-foss-2023a 0.38.0-foss-2024a
jupyter-server 2.7.2-GCCcore-12.3.0 2.14.2-GCCcore-13.3.0
nettle 3.9.1-GCCcore-12.3.0 3.10-GCCcore-13.3.0
nodejs 18.17.1-GCCcore-12.3.0 20.13.1-GCCcore-13.3.0
intel-compilers 2023.1.0 2024.2.0
x265 3.5-GCCcore-12.3.0 3.6-GCCcore-13.3.0
binutils 2.35
2.40-GCCcore-12.3.0
2.38
2.35-GCCcore-10.2.0
2.40		 2.42-GCCcore-13.3.0
2.42
2.40
NVHPC 23.7
23.7-CUDA-11.7.0
23.7-CUDA-12.2.0		 24.9-CUDA-12.6.0
GLib 2.77.1-GCCcore-12.3.0 2.80.4-GCCcore-13.3.0
intltool 0.51.0-GCCcore-12.3.0 0.51.0-GCCcore-13.3.0
squashfuse 0.5.2-GCCcore-12.3.0
0.2.0-GCCcore-12.3.0		 0.5.2-GCCcore-13.3.0
DBus 1.15.4-GCCcore-12.3.0 1.15.8-GCCcore-13.3.0
ATK 2.38.0-GCCcore-12.3.0 2.38.0-GCCcore-13.3.0
JupyterHub 4.0.2-GCCcore-12.3.0 5.2.0-GCCcore-13.3.0
PCRE 8.45-GCCcore-12.3.0 8.45-GCCcore-13.3.0
FFmpeg 6.0-GCCcore-12.3.0 7.0.2-GCCcore-13.3.0
tbb 2021.10.0-GCCcore-12.3.0
2021.11.0-GCCcore-12.3.0		 2021.13.0-GCCcore-13.3.0
gnuplot 5.4.8-GCCcore-12.3.0 6.0.1-GCCcore-13.3.0
Clang 16.0.6-GCCcore-12.3.0-CUDA-12.2.0
16.0.6-GCCcore-12.3.0		 18.1.8-GCCcore-13.3.0
libxml2 2.11.4-GCCcore-12.3.0 2.12.7-GCCcore-13.3.0
groff 1.22.4-GCCcore-12.3.0 1.23.0-GCCcore-13.3.0
Seaborn 0.13.2-gfbf-2023a 0.13.2-gfbf-2024a
PycURL 7.45.2-GCCcore-12.3.0 7.45.3-GCCcore-13.3.0
MPFR 4.2.0-GCCcore-12.3.0 4.2.1-GCCcore-13.3.0
LAME 3.100-GCCcore-12.3.0 3.100-GCCcore-13.3.0
meson-python 0.13.2-GCCcore-12.3.0-python-3.10.8
0.13.2-GCCcore-12.3.0		 0.16.0-GCCcore-13.3.0
Arrow 14.0.1-gfbf-2023a 17.0.0-gfbf-2024a
RE2 2023-08-01-GCCcore-12.3.0 2024-07-02-GCCcore-13.3.0
Xerces-C++ 3.2.4-GCCcore-12.3.0 3.3.0-GCCcore-13.3.0
ncurses 6.4-GCCcore-12.3.0
6.2-GCCcore-10.2.0
6.2
6.3
5.9		 6.5-GCCcore-13.3.0
6.5
6.3
5.9
Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k 2.7.2-GCC-13.3.0-lmax-6-cp2k
libglvnd 1.6.0-GCCcore-12.3.0 1.7.0-GCCcore-13.3.0
attr 2.5.1-GCCcore-12.3.0 2.5.2-GCCcore-13.3.0
Pango 1.50.14-GCCcore-12.3.0 1.54.0-GCCcore-13.3.0
libfabric 1.18.0-GCCcore-12.3.0 1.21.0-GCCcore-13.3.0
Python 3.11.3-GCCcore-12.3.0
3.10.8-GCCcore-12.3.0		 3.12.3-GCCcore-13.3.0
sympy 1.12-gfbf-2023a 1.13.3-gfbf-2024a
archspec 0.2.1-GCCcore-12.3.0 0.2.4-GCCcore-13.3.0
Autotools 20220317
20220317-GCCcore-12.3.0		 20231222-GCCcore-13.3.0
libpng 1.6.39-GCCcore-12.3.0 1.6.43-GCCcore-13.3.0
flatbuffers 23.5.26-GCCcore-12.3.0 24.3.25-GCCcore-13.3.0
Mesa 23.1.4-GCCcore-12.3.0 24.1.3-GCCcore-13.3.0
XZ 5.2.5-GCCcore-10.2.0
5.4.2-GCCcore-12.3.0		 5.4.5-GCCcore-13.3.0
CubeLib 4.8.1-GCCcore-12.3.0 4.8.2-GCCcore-13.3.0
tcsh 6.24.10-GCCcore-12.3.0 6.24.13-GCCcore-13.3.0
flit 3.9.0-GCCcore-12.3.0
3.9.0-GCCcore-12.3.0-python-3.10.8		 3.9.0-GCCcore-13.3.0
MPC 1.3.1-GCCcore-12.3.0 1.3.1-GCCcore-13.3.0
OTF2 3.0.3-GCCcore-12.3.0 3.0.3-GCCcore-13.3.0
libgit2 1.7.1-GCCcore-12.3.0 1.8.1-GCCcore-13.3.0
Gdk-Pixbuf 2.42.10-GCCcore-12.3.0 2.42.11-GCCcore-13.3.0
cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8 24.10.0-foss-2024a-CUDA-12.6.0
bzip2 1.0.8-GCCcore-10.2.0
1.0.8-GCCcore-12.3.0		 1.0.8-GCCcore-13.3.0
libxsmm 1.17-GCC-12.3.0 1.17-GCC-13.3.0
libevent 2.1.12-GCCcore-12.3.0 2.1.12-GCCcore-13.3.0
Graphene 1.10.8-GCCcore-12.3.0 1.10.8-GCCcore-13.3.0
Java 11.0.18
.modulerc
17.0.6		 11.0.20
.modulerc
21.0.5
PDT 3.25.1-GCCcore-12.3.0 3.25.2-GCCcore-13.3.0
SIONlib 1.7.7-GCCcore-12.3.0-tools 1.7.7-GCCcore-13.3.0-tools
cirq-core 1.2.0-foss-2023a 1.4.1-foss-2024a
SWIG 4.1.1-GCCcore-12.3.0 4.2.1-GCCcore-13.3.0
NSPR 4.35-GCCcore-12.3.0 4.35-GCCcore-13.3.0
numba 0.58.1-foss-2023a
0.58.1-foss-2023a-CUDA-12.2.0
0.57.1-foss-2023a-CUDA-12.2.0-python-3.10.8		 0.60.0-foss-2024a
UCX 1.14.1-GCCcore-12.3.0 1.16.0-GCCcore-13.3.0
configurable-http-proxy 4.5.6-GCCcore-12.3.0 4.6.2-GCCcore-13.3.0
Mako 1.2.4-GCCcore-12.3.0 1.3.5-GCCcore-13.3.0
cffi 1.15.1-GCCcore-12.3.0-python-3.10.8
1.15.1-GCCcore-12.3.0		 1.16.0-GCCcore-13.3.0
NVSHMEM 2.9.0-gompi-2023a-CUDA-12.2.0 3.0.6-gompi-2024a-CUDA-12.6.0
googletest 1.13.0-GCCcore-12.3.0 1.15.2-GCCcore-13.3.0
CGAL 5.6-GCCcore-12.3.0 5.6.1-GCCcore-13.3.0
netCDF-Fortran 4.6.1-iimpi-2023a
4.6.1-gompi-2023a		 4.6.1-gompi-2024a
4.6.1-iimpi-2024a
elfutils 0.189-GCCcore-12.3.0 0.191-GCCcore-13.3.0
ParMETIS 4.0.3-gompi-2023a 4.0.3-gompi-2024a
cairo 1.17.8-GCCcore-12.3.0 1.18.0-GCCcore-13.3.0
Bison 3.7.1-GCCcore-10.2.0
3.8.2-GCCcore-12.3.0
3.8.2		 3.8.2
3.8.2-GCCcore-13.3.0
libogg 1.3.5-GCCcore-12.3.0 1.3.5-GCCcore-13.3.0
libvorbis 1.3.7-GCCcore-12.3.0 1.3.7-GCCcore-13.3.0
NASM 2.16.01-GCCcore-12.3.0 2.16.03-GCCcore-13.3.0
wrapt 1.15.0-gfbf-2023a 1.16.0-gfbf-2024a
GTS 0.7.6-GCCcore-12.3.0 0.7.6-GCCcore-13.3.0
hypothesis 6.82.0-GCCcore-12.3.0-python-3.10.8
6.82.0-GCCcore-12.3.0		 6.103.1-GCCcore-13.3.0
popt 1.19 1.19
1.18
cuQuantum-Python 23.10.0-foss-2023a-CUDA-12.2.0 24.8.0.2-foss-2024a-CUDA-12.6.0
dask-cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8 24.10.0-foss-2024a-CUDA-12.6.0
rustworkx 0.13.2-foss-2023a 0.15.1-foss-2024a
hatchling 1.18.0-GCCcore-12.3.0
1.18.0-GCCcore-12.3.0-python-3.10.8		 1.24.2-GCCcore-13.3.0
HDF 4.2.16-2-GCCcore-12.3.0
4.2.16-GCCcore-12.3.0		 4.2.16-2-GCCcore-13.3.0
xxd 9.0.2112-GCCcore-12.3.0
9.0.2116-GCCcore-12.3.0		 9.1.0740-GCCcore-13.3.0
HarfBuzz 5.3.1-GCCcore-12.3.0 9.0.0-GCCcore-13.3.0
networkx 3.1-gfbf-2023a 3.4-gfbf-2024a
NLopt 2.7.1-GCCcore-12.3.0 2.7.1-GCCcore-13.3.0
gocryptfs 2.4.0-GCCcore-12.3.0 2.4.0-GCCcore-13.3.0
Yasm 1.3.0-GCCcore-12.3.0 1.3.0-GCCcore-13.3.0
gmpy2 2.1.5-GCC-12.3.0 2.2.0-GCCcore-13.3.0
freetype 2.13.0-GCCcore-12.3.0 2.13.2-GCCcore-13.3.0
pkg-config 0.29.2-GCCcore-12.3.0 0.29.2
bcrypt 4.0.1-GCCcore-12.3.0 4.1.3-GCCcore-13.3.0
PMIx 4.2.6-GCCcore-12.3.0 5.0.2-GCCcore-13.3.0
4.2.6-GCCcore-13.3.0
cuQuantum 23.10.0-CUDA-12.2.0 24.08.0.5-CUDA-12.6.0

Additionally, note that new software has been added to the stack alongside the version changes. These additions are summarized below.

Click to expand/collapse the table of with the new modules present in the release 2024.1 stack as compared to the release 2023.1 one
software name
pyproj
GitPython
MPICH
DBCSR
PostgreSQL
MAQAO
geopandas
pydantic
MLflow
SQLAlchemy
Flask
scikit-build-core
psycopg2
psycopg
tlparse
RAPIDS
libdwarf
jedi
Cython
xarray
HPL
assimp
intel-oneapi
optree
Fiona
parallel
pocl
fonttools
hatch-jupyter-builder
Greenlet
Zoltan
CUDA-Python
PRRTE
Qt6
Wannier90

The 2024 staging stack

The table below lists the software included in the 2024 staging stack, along with their respective versions and the toolchain versions used for their build.

Click to expand/collapse the table of modules
Category Software Name Software Version/Toolchain/Info
ai PyTorch 2.3.0-foss-2024a-CUDA-12.6.0
RAPIDS 24.10-foss-2024a-CUDA-12.6.0
base cirq-core 1.4.1-foss-2024a
Kokkos 4.4.1-GCC-13.3.0-CUDA-12.6.0
Kokkos 4.4.1-GCC-13.3.0
bio cooler 0.10.2-foss-2024a
cuDF 24.10.0-foss-2024a-CUDA-12.6.0
dask-cuDF 24.10.0-foss-2024a-CUDA-12.6.0
GROMACS 2024.3-foss-2024a-CUDA-12.6.0-PLUMED-2.9.2
GROMACS 2024.3-foss-2024a
GROMACS 2024.3-foss-2024a-PLUMED-2.9.2
pyfaidx 0.8.1.2-GCCcore-13.3.0
Seaborn 0.13.2-gfbf-2024a
cae OpenFOAM 12-foss-2024a
Zoltan 3.901-foss-2024a
chem CP2K 2024.3-foss-2024a-CUDA-12.6.0
CP2K 2024.3-foss-2024a
DBCSR 2.7.0-foss-2024a-CUDA-12.6.0
Libint 2.7.2-GCC-13.3.0-lmax-6-cp2k
libxc 6.2.2-GCC-13.3.0
NAMD 3.0-foss-2024a-mpi
ORCA 6.0.0-gompi-2024a
PLUMED 2.9.2-foss-2024a
QuantumESPRESSO 7.3.1-foss-2024a
spglib 2.0.2-GCCcore-13.3.0
Wannier90 3.1.0-foss-2024a
Wannier90 3.1.0-intel-2024a
compiler AOCC 5.0.0-GCCcore-13.3.0
Clang 18.1.8-GCCcore-13.3.0-CUDA-12.6.0
Clang 18.1.8-GCCcore-13.3.0
GCC 13.3.0
GCCcore 13.3.0
Go 1.22.1
intel-compilers 2024.2.0-CUDA-12.6.0
intel-compilers 2024.2.0
intel-oneapi 2024.2.1
LLVM 18.1.8-GCCcore-13.3.0
NVHPC 24.9-CUDA-12.6.0
data Arrow 17.0.0-gfbf-2024a
BeautifulSoup 4.12.3-GCCcore-13.3.0
dask 2024.9.0-gfbf-2024a
dill 0.3.9-GCCcore-13.3.0
Fiona 1.10.1-foss-2024a
GDAL 3.9.3-foss-2024a
h5py 3.11.0-foss-2024a-CUDA-12.6.0
h5py 3.11.0-foss-2024a
HDF 4.2.16-2-GCCcore-13.3.0
HDF5 1.14.3-gompi-2024a
HDF5 1.14.3-iimpi-2024a
HDF5 1.14.5-gompi-2024a
LAME 3.100-GCCcore-13.3.0
MariaDB 11.7.0-GCC-13.3.0
netCDF 4.9.2-gompi-2024a
netCDF 4.9.2-iimpi-2024a
netCDF-C++4 4.3.1-gompi-2024a
netCDF-C++4 4.3.1-iimpi-2024a
netCDF-Fortran 4.6.1-gompi-2024a
netCDF-Fortran 4.6.1-iimpi-2024a
PostgreSQL 16.4-GCCcore-13.3.0
pyproj 3.7.0-GCCcore-13.3.0
scikit-learn 1.5.2-gfbf-2024a
xarray 2024.9.0-gfbf-2024a
debugger GDB 14.2-GCCcore-13.3.0
Valgrind 3.23.0-gompi-2024a
devel Autoconf 2.72-GCCcore-13.3.0
Automake 1.16.5-GCCcore-13.3.0
Autotools 20231222-GCCcore-13.3.0
Boost 1.85.0-GCC-13.3.0
CMake 3.29.3-GCCcore-13.3.0
cuQuantum-Python 24.8.0.2-foss-2024a-CUDA-12.6.0
DBus 1.15.8-GCCcore-13.3.0
Doxygen 1.11.0-GCCcore-13.3.0
flatbuffers 24.3.25-GCCcore-13.3.0
flatbuffers-python 24.3.25-GCCcore-13.3.0
fonttools 4.53.1-GCCcore-13.3.0
GObject-Introspection 1.80.1-GCCcore-13.3.0
gperf 3.1-GCCcore-13.3.0
Greenlet 3.1.0-GCCcore-13.3.0
intltool 0.51.0-GCCcore-13.3.0
libdwarf 0.11.0-GCCcore-13.3.0
libgit2 1.8.1-GCCcore-13.3.0
LZO 2.10-GCCcore-13.3.0
M4 1.4.18
M4 1.4.19-GCCcore-13.3.0
M4 1.4.19
make 4.4.1-GCCcore-13.3.0
makeinfo 7.1-GCCcore-13.3.0
Mako 1.3.5-GCCcore-13.3.0
ncurses 5.9
ncurses 6.5-GCCcore-13.3.0
ncurses 6.5
nsync 1.29.2-GCCcore-13.3.0
NVSHMEM 3.0.6-gompi-2024a-CUDA-12.6.0
PCRE2 10.43-GCCcore-13.3.0
PCRE 8.45-GCCcore-13.3.0
pkgconf 1.8.0
pkgconf 2.2.0-GCCcore-13.3.0
pkgconf 2.2.0
pkg-config 0.29.2
pkgconfig 1.5.5-GCCcore-13.3.0-python
protobuf 28.0-GCCcore-13.3.0
protobuf-python 5.28.0-GCCcore-13.3.0
pydantic 2.9.1-GCCcore-13.3.0
PyZMQ 26.2.0-GCCcore-13.3.0
qsimcirq 0.21.0-foss-2024a
Qt5 5.15.15-GCCcore-13.3.0
Qt6 6.8.0-GCCcore-13.3.0
ReFrame 4.6.2-Python-3.6
ReFrame 4.6.3-GCCcore-13.3.0
SQLite 3.45.3-GCCcore-13.3.0
SWIG 4.2.1-GCCcore-13.3.0
typing-extensions 4.11.0-GCCcore-13.3.0
xcb-proto 1.17.0
xorg-macros 1.20.1-GCCcore-13.3.0
ZeroMQ 4.3.5-GCCcore-13.3.0
geo geopandas 1.0.1-foss-2024a
lang Bison 3.8.2-GCCcore-13.3.0
Bison 3.8.2
coccinelle 1.2-GCC-13.3.0
Cython 3.0.10-GCCcore-13.3.0
flex 2.6.4-GCCcore-13.3.0
flex 2.6.4
FriBidi 1.0.15-GCCcore-13.3.0
Java 11.0.20
Java 21.0.2
Java .modulerc
Julia 1.11.0-linux-x86_64
Lua 5.4.7-GCCcore-13.3.0
NASM 2.16.03-GCCcore-13.3.0
nodejs 20.13.1-GCCcore-13.3.0
numba 0.60.0-foss-2024a-CUDA-12.6.0
numba 0.60.0-foss-2024a
OCaml 5.1.1-GCC-13.3.0
Perl 5.38.0
Perl 5.38.2-GCCcore-13.3.0
Perl-bundle-CPAN 5.38.2-GCCcore-13.3.0
Python 3.11.10-GCCcore-13.3.0
Python 3.12.3-GCCcore-13.3.0
Python-bundle-PyPI 2024.06-GCCcore-13.3.0
R 4.4.1-gfbf-2024a
Rust 1.76.0-GCCcore-13.3.0
Rust 1.78.0-GCCcore-13.3.0
Rust 1.79.0-GCCcore-13.3.0
SciPy-bundle 2024.05-gfbf-2024a
Tcl 8.6.14-GCCcore-13.3.0
Tkinter 3.12.3-GCCcore-13.3.0
Yasm 1.3.0-GCCcore-13.3.0
lib Abseil 20240722.0-GCCcore-13.3.0
aiohttp 3.10.5-GCCcore-13.3.0
Brotli 1.1.0-GCCcore-13.3.0
Brunsli 0.1-GCCcore-13.3.0
Catch2 2.13.10-GCCcore-13.3.0
CFITSIO 4.4.1-GCCcore-13.3.0
Check 0.15.2-GCCcore-13.3.0
CUDA-Python 12.6.0-gfbf-2024a-CUDA-12.6.0
cuQuantum 24.08.0.5-CUDA-12.6.0
double-conversion 3.3.0-GCCcore-13.3.0
dtcmp 1.1.5-gompi-2024a
elfutils 0.191-GCCcore-13.3.0
ffnvcodec 12.0.16.0
ffnvcodec 12.2.72.0
FLAC 1.4.3-GCCcore-13.3.0
Flask 3.0.3-GCCcore-13.3.0
FlexiBLAS 3.4.4-GCC-13.3.0
FUSE 2.9.7-GCCcore-13.3.0
FUSE 3.16.2-GCCcore-13.3.0
GDRCopy 2.4.1-GCCcore-13.3.0
giflib 5.2.1-GCCcore-13.3.0
giflib 5.2.2-GCCcore-13.3.0
GitPython 3.1.43-GCCcore-13.3.0
GLM 1.0.1-GCCcore-13.3.0
gocryptfs 2.4.0-GCCcore-13.3.0
Graphene 1.10.8-GCCcore-13.3.0
graphite2 1.3.14-GCCcore-13.3.0
Highway 1.2.0-GCCcore-13.3.0
ICU 74.1-GCCcore-13.3.0
ICU 75.1-GCCcore-13.3.0
Imath 3.1.11-GCCcore-13.3.0
jemalloc 5.3.0-GCCcore-13.3.0
json-c 0.17-GCCcore-13.3.0
JsonCpp 1.9.5-GCCcore-13.3.0
Judy 1.0.5-GCCcore-13.3.0
LERC 4.0.0-GCCcore-13.3.0
libaio 0.3.113-GCCcore-13.3.0
libcircle 0.3-gompi-2024a
libdrm 2.4.122-GCCcore-13.3.0
libepoxy 1.5.10-GCCcore-13.3.0
libevent 2.1.12-GCCcore-13.3.0
libfabric 1.21.0-GCCcore-13.3.0
libffi 3.4.5-GCCcore-13.3.0
libgd 2.3.3-GCCcore-13.3.0
libgeotiff 1.7.3-GCCcore-13.3.0
libglvnd 1.7.0-GCCcore-13.3.0
libiconv 1.17-GCCcore-13.3.0
libjpeg-turbo 3.0.1-GCCcore-13.3.0
libogg 1.3.5-GCCcore-13.3.0
libopus 1.5.2-GCCcore-13.3.0
libpng 1.6.43-GCCcore-13.3.0
libreadline 8.2-GCCcore-13.3.0
libsndfile 1.2.2-GCCcore-13.3.0
libsodium 1.0.20-GCCcore-13.3.0
LibTIFF 4.6.0-GCCcore-13.3.0
libtirpc 1.3.5-GCCcore-13.3.0
libtool 2.4.7-GCCcore-13.3.0
libtool 2.4.7
libunwind 1.8.1-GCCcore-13.3.0
libvorbis 1.3.7-GCCcore-13.3.0
libvori 220621-GCCcore-13.3.0
libwebp 1.4.0-GCCcore-13.3.0
libxml2 2.12.7-GCCcore-13.3.0
libxslt 1.1.42-GCCcore-13.3.0
libyaml 0.2.5-GCCcore-13.3.0
lwgrp 1.0.6-gompi-2024a
lxml 5.3.0-GCCcore-13.3.0
lz4 1.9.4-GCCcore-13.3.0
mpi4py 4.0.0-gompi-2024a
mpi4py 4.0.1-gompi-2024a
muparserx 4.0.12-GCCcore-13.3.0
NCCL 2.18.3-GCCcore-13.3.0-CUDA-12.6.0
NCCL 2.22.3-GCCcore-13.3.0-CUDA-12.6.0
nettle 3.10-GCCcore-13.3.0
nlohmann_json 3.11.3-GCCcore-13.3.0
NSPR 4.35-GCCcore-13.3.0
NSPR 4.9-GCCcore-13.3.0
NSS 3.104-GCCcore-13.3.0
OpenJPEG 2.5.2-GCCcore-13.3.0
optree 0.11.0-GCCcore-13.3.0
PMIx 4.2.6-GCCcore-13.3.0
PMIx 5.0.2-GCCcore-13.3.0
pocl 6.0-GCC-13.3.0
popt 1.18
popt 1.19
PROJ 9.4.1-GCCcore-13.3.0
PRRTE 3.0.5-GCCcore-13.3.0
psutil 6.0.0-GCCcore-13.3.0
psycopg2 2.9.9-GCCcore-13.3.0
psycopg 3.2.3-GCCcore-13.3.0
pybind11 2.12.0-GCC-13.3.0
pybind11 2.13.6-GCC-13.3.0
PyYAML 6.0.2-GCCcore-13.3.0
RapidJSON 1.1.0-20240815-GCCcore-13.3.0
RE2 2024-07-02-GCCcore-13.3.0
scikit-build 0.17.6-GCCcore-13.3.0
scikit-build-core 0.10.6-GCCcore-13.3.0
SDL2 2.30.6-GCCcore-13.3.0
SIONlib 1.7.7-GCCcore-13.3.0-tools
snappy 1.1.10-GCCcore-13.3.0
snappy 1.2.1-GCCcore-13.3.0
spdlog 1.14.1-GCCcore-13.3.0
SQLAlchemy 2.0.35-GCCcore-13.3.0
squashfuse 0.5.2-GCCcore-13.3.0
SymEngine 0.13.0-gfbf-2024a
SymEngine-python 0.13.0-gfbf-2024a
tbb 2021.13.0-GCCcore-13.3.0
tornado 6.4.1-GCCcore-13.3.0
tqdm 4.66.5-GCCcore-13.3.0
UCC 1.3.0-GCCcore-13.3.0
UCC-CUDA 1.3.0-GCCcore-13.3.0-CUDA-12.6.0
UCX 1.16.0-GCCcore-13.3.0
UCX-CUDA 1.16.0-GCCcore-13.3.0-CUDA-12.6.0
utf8proc 2.9.0-GCCcore-13.3.0
Xerces-C++ 3.3.0-GCCcore-13.3.0
zlib 1.2.12
zlib 1.2.13
zlib 1.3.1-GCCcore-13.3.0
zlib 1.3.1
zstd 1.5.6-GCCcore-13.3.0
math Eigen 3.4.0-GCCcore-13.3.0
ELPA 2024.05.001-foss-2024a
ELPA 2024_05_001-foss-2024a
FLINT 3.1.2-gfbf-2024a
GEOS 3.13.0-GCC-13.3.0
GMP 6.3.0-GCCcore-13.3.0
gmpy2 2.2.0-GCCcore-13.3.0
HPX 1.10.0-foss-2024a
ISL 0.26-GCCcore-13.3.0
libcerf 2.4-GCCcore-13.3.0
libxsmm 1.17-GCC-13.3.0
magma 2.8.0-foss-2024a-CUDA-12.6.0
MCR R2024a.4
METIS 5.1.0-GCCcore-13.3.0
MPC 1.3.1-GCCcore-13.3.0
MPFR 4.2.1-GCCcore-13.3.0
MUMPS 5.7.3-foss-2024a-metis
NTL 11.5.1-GCC-13.3.0
ParMETIS 4.0.3-gompi-2024a
Qhull 2020.2-GCCcore-13.3.0
retworkx 0.15.1-foss-2024a
rustworkx 0.15.1-foss-2024a
SCOTCH 7.0.5-gompi-2024a
Shapely 2.0.6-gfbf-2024a
sympy 1.13.3-gfbf-2024a
mpi impi 2021.13.0-intel-compilers-2024.2.0
MPICH 4.2.2-GCC-13.3.0
OpenMPI 5.0.3-GCC-13.3.0
OpenMPI 5.0.3-NVHPC-24.9-CUDA-12.6.0
psmpi 5.10.0-1-GCC-13.3.0-CUDA-12.6.0
psmpi 5.10.0-1-GCC-13.3.0
numlib Armadillo 14.0.2-foss-2024a
arpack-ng 3.9.1-foss-2024a
BLIS 1.0-GCC-13.3.0
CGAL 5.6.1-GCCcore-13.3.0
cuDNN 9.5.0.50-CUDA-12.6.0
FFTW 3.3.10-GCC-13.3.0
FFTW.MPI 3.3.10-gompi-2024a
GSL 2.8-GCC-13.3.0
Hypre 2.31.0-foss-2024a
imkl 2024.2.0
imkl-FFTW 2024.2.0-iimpi-2024a
NLopt 2.7.1-GCCcore-13.3.0
OpenBLAS 0.3.27-GCC-13.3.0
PETSc 3.22.0-foss-2024a
ScaLAPACK 2.2.0-gompi-2024a-fb
SuiteSparse 7.8.2-foss-2024a
SuperLU_DIST 9.0.0-foss-2024a
perf Advisor 2024.3
AMD-uProf 5.0.1479
CubeLib 4.8.2-GCCcore-13.3.0
CubeWriter 4.8.2-GCCcore-13.3.0
Extrae 4.2.0-gompi-2024a
OPARI2 2.0.8-GCCcore-13.3.0
OSU-Micro-Benchmarks 7.4-gompi-2024a
OSU-Micro-Benchmarks 7.4-iimpi-2024a
OTF2 3.0.3-GCCcore-13.3.0
PAPI 7.1.0-GCCcore-13.3.0
PDT 3.25.2-GCCcore-13.3.0
Score-P 8.4-gompi-2024a-CUDA-12.6.0
Score-P 8.4-gompi-2024a
quantum PennyLane 0.38.0-foss-2024a
PennyLane-Lightning 0.38.0-foss-2024a-CUDA-12.6.0-lightning_gpu
PennyLane-Lightning 0.38.0-foss-2024a-CUDA-12.6.0
PennyLane-Lightning 0.38.0-foss-2024a-Kokkos-CUDA-12.6.0
PennyLane-Lightning 0.38.0-foss-2024a-Kokkos
PennyLane-Lightning 0.38.0-foss-2024a-lightning_qubit
PennyLane-Lightning 0.38.0-foss-2024a-Tensor
pytket 1.34.0-foss-2024a
Qiskit 1.1.2-foss-2024a
system CUDA 12.6.0
hwloc 2.10.0-GCCcore-13.3.0
libdeflate 1.20-GCCcore-13.3.0
libpciaccess 0.18.1-GCCcore-13.3.0
ompi-configs 5.0.3-ucx-cuda
ompi-configs 5.0.3-ucx
ompi-configs 5.0.3-ucx-ucc-cuda
ompi-configs 5.0.3-ucx-ucc
OpenPGM 5.2.122-GCCcore-13.3.0
OpenSSL 3
ucx-configs DC-CUDA
ucx-configs DC
ucx-configs RC-CUDA
ucx-configs RC
ucx-configs UD
toolchain foss 2024a
gfbf 2024.05
gfbf 2024a
gompi 2024.05
gompi 2024a
iimpi 2024a
intel 2024a
tools 520nmx 20.4
Apptainer 1.3.4-GCCcore-13.3.0
Apptainer 1.3.6-GCCcore-13.3.0
archspec 0.2.4-GCCcore-13.3.0
attr 2.5.2-GCCcore-13.3.0
bcrypt 4.1.3-GCCcore-13.3.0
binutils 2.38
binutils 2.40-GCCcore-13.3.0
binutils 2.40
binutils 2.42-GCCcore-13.3.0
binutils 2.42
bokeh 3.5.0-gfbf-2024a
bzip2 1.0.8-GCCcore-13.3.0
cffi 1.16.0-GCCcore-13.3.0
configurable-http-proxy 4.6.2-GCCcore-13.3.0
cppy 1.2.1-GCCcore-13.3.0
cryptography 42.0.8-GCCcore-13.3.0
cURL 8.7.1-GCCcore-13.3.0
expat 2.6.2-GCCcore-13.3.0
expecttest 0.2.1-GCCcore-13.3.0
flit 3.9.0-GCCcore-13.3.0
gettext 0.22.5-GCCcore-13.3.0
gettext 0.22.5
Ghostscript 10.03.1-GCCcore-13.3.0
git 2.45.1-GCCcore-13.3.0
git-lfs 3.5.1
googletest 1.15.2-GCCcore-13.3.0
gperftools 2.16-GCCcore-13.3.0
groff 1.23.0-GCCcore-13.3.0
gzip 1.13-GCCcore-13.3.0
hatch-jupyter-builder 0.9.1-GCCcore-13.3.0
hatchling 1.24.2-GCCcore-13.3.0
help2man 1.49.3-GCCcore-13.3.0
Horovod 0.28.1-foss-2024a-CUDA-12.6.0-PyTorch-2.3.0
HPL 2.3-foss-2024a
HPL 2.3-intel-2024a
hypothesis 6.103.1-GCCcore-13.3.0
ifpgasdk 20.4
Inspector 2024.2.0
IOR 4.0.0-gompi-2024a
iperf 3.17.1
IPython 8.27.0-GCCcore-13.3.0
itac 2021.10.0
itac 2022.2
jedi 0.19.1-GCCcore-13.3.0
JupyterHub 5.2.0-GCCcore-13.3.0
JupyterLab 4.2.5-GCCcore-13.3.0
jupyter-server 2.14.2-GCCcore-13.3.0
jupyter-server-proxy 4.4.0-GCCcore-13.3.0
libarchive 3.7.4-GCCcore-13.3.0
Linaro-Forge 24.0.5-GCC-13.3.0
Linaro-Forge 24.0.6-GCC-13.3.0
maturin 1.6.0-GCCcore-13.3.0
maturin 1.6.0-GCCcore-13.3.0-Rust-1.79.0
Meson 1.4.0-GCCcore-13.3.0
meson-python 0.16.0-GCCcore-13.3.0
MLflow 2.17.2-gfbf-2024a
moreutils 0.69-GCCcore-13.3.0
mpifileutils 0.11.1-gompi-2024a
networkx 3.4-gfbf-2024a
Ninja 1.12.1-GCCcore-13.3.0
Nsight-Compute 2024.3.2.3
Nsight-Systems 2024.6.1
numactl 2.0.18-GCCcore-13.3.0
parallel 20240722-GCCcore-13.3.0
patchelf 0.18.0-GCCcore-13.3.0
poetry 1.8.3-GCCcore-13.3.0
pscom 5.8.0-1-GCCcore-13.3.0-CUDA-12.6.0
pscom 5.8.0-1-GCCcore-13.3.0
PycURL 7.45.3-GCCcore-13.3.0
pytest-flakefinder 1.1.0-GCCcore-13.3.0
pytest-rerunfailures 14.0-GCCcore-13.3.0
pytest-shard 0.1.2-GCCcore-13.3.0
re2c 3.1-GCCcore-13.3.0
setuptools-rust 1.9.0-GCCcore-13.3.0
Szip 2.1.1-GCCcore-13.3.0
tcsh 6.24.13-GCCcore-13.3.0
tlparse 0.3.5-GCCcore-13.3.0
UnZip 6.0-GCCcore-13.3.0
util-linux 2.40-GCCcore-13.3.0
virtualenv 20.26.2-GCCcore-13.3.0
VTune 2024.3.0
VTune 2024.3
wrapt 1.16.0-gfbf-2024a
xxd 9.1.0740-GCCcore-13.3.0
XZ 5.4.5-GCCcore-13.3.0
Z3 4.13.0-GCCcore-13.3.0
Zip 3.0-GCCcore-13.3.0
vis assimp 5.4.3-GCCcore-13.3.0
ATK 2.38.0-GCCcore-13.3.0
at-spi2-core 2.50.0-GCCcore-13.3.0
at-spi2-core 2.53.0-GCCcore-13.3.0
cairo 1.18.0-GCCcore-13.3.0
FFmpeg 6.0-GCCcore-13.3.0
FFmpeg 6.1.2-GCCcore-13.3.0
FFmpeg 6.1-GCCcore-13.3.0
FFmpeg 7.0.2-GCCcore-13.3.0
fontconfig 2.15.0-GCCcore-13.3.0
freetype 2.13.2-GCCcore-13.3.0
Gdk-Pixbuf 2.42.11-GCCcore-13.3.0
GLib 2.80.4-GCCcore-13.3.0
gnuplot 6.0.1-GCCcore-13.3.0
GTK3 3.24.43-GCCcore-13.3.0
GTS 0.7.6-GCCcore-13.3.0
HarfBuzz 9.0.0-GCCcore-13.3.0
imageio 2.35.1-gfbf-2024a
ImageMagick 7.1.1-38-GCCcore-13.3.0
JasPer 4.2.4-GCCcore-13.3.0
jbigkit 2.1-GCCcore-13.3.0
libGLU 9.0.3-GCCcore-13.3.0
LittleCMS 2.16-GCCcore-13.3.0
matplotlib 3.9.2-gfbf-2024a
Mesa 24.1.3-GCCcore-13.3.0
OpenEXR 3.2.4-GCCcore-13.3.0
Pango 1.54.0-GCCcore-13.3.0
ParaView 5.13.0-foss-2024a
Pillow 10.4.0-GCCcore-13.3.0
Pillow-SIMD 10.4.0-GCCcore-13.3.0
pixman 0.43.4-GCCcore-13.3.0
PyOpenCL 2023.1.4-foss-2024a-ifpgasdk-20.4
scikit-image 0.24.0-foss-2024a
setuptools 69.5.1-GCCcore-13.3.0
Tk 8.6.14-GCCcore-13.3.0
torchvision 0.18.1-foss-2024a-CUDA-12.6.0
VTK 9.3.0-foss-2024a
Wayland 1.23.0-GCCcore-13.3.0
X11 20240607-GCCcore-13.3.0
x264 20240513-GCCcore-13.3.0
x265 3.6-GCCcore-13.3.0

The current default stack - 2023.1

Click to expand/collapse the table of modules
Category Software Name Software Version/Toolchain/Info
ai comet-ml 3.47.0-GCC-12.3.0
jax 0.4.25-gfbf-2023a-CUDA-12.1.1
PyTorch 2.1.2-foss-2023a-CUDA-12.1.1
rapidsai 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
base cirq-core 1.2.0-foss-2023a
Kokkos 4.1.0-GCC-12.3.0
bio cooler 0.10.2-foss-2023a
cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cuGraph 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cuML 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cuSpatial 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
dask-cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
GROMACS 2023.3-foss-2023a-CUDA-12.2.0
GROMACS 2023.3-foss-2023a
HH-suite 3.3.0-gompi-2023a
pyfaidx 0.8.1.1-GCCcore-12.3.0
Seaborn 0.13.2-gfbf-2023a
cae OpenFOAM 10-foss-2023a
OpenFOAM v2306-foss-2023a
OpenFOAM v2312-foss-2023a
chem CheMPS2 1.8.12-foss-2023a
CP2K 2023.1-foss-2023a-CUDA-12.2.0
CP2K 2023.1-foss-2023a
CP2K 2023.1-foss-2023a-spglib-2.0.2
CPPE 0.3.1-GCC-12.3.0
Dice 20221025-foss-2023a
kim-api 2.3.0-GCC-12.3.0
kim-api 2.3.0-GCCcore-12.3.0
LAMMPS 2Aug2023_update2-foss-2023a-kokkos
libcint 5.4.0-gfbf-2023a
Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k
libxc 6.2.2-GCC-12.3.0
libxc 6.2.2-intel-compilers-2023.1.0
MDI 1.4.26-gompi-2023a
Molpro mpp-2015.1.38.linux_x86_64_openmp
NAMD 2.14-foss-2023a-mpi
NAMD 3.0b5-multicore-AVX512-bin
NAMD 3.0b5-multicore-bin
NAMD 3.0b5-multicore-CUDA-bin
NWChem 7.2.2-intel-2023a
ORCA 5.0.4-gompi-2023a
PLUMED 2.9.0-foss-2023a
QuantumESPRESSO 7.2-foss-2023a
spglib 2.0.2-GCCcore-12.3.0
XCFun 2.1.1-GCCcore-12.3.0
compiler AOCC 4.0.0-GCCcore-12.3.0
Clang 16.0.6-GCCcore-12.3.0-CUDA-12.2.0
Clang 16.0.6-GCCcore-12.3.0
GCC 12.3.0
GCCcore 10.2.0
GCCcore 12.3.0
Go 1.20.4
Go 1.21.2
intel-compilers 2023.1.0
intel-fpga 2023.1.0
LLVM 16.0.6-GCCcore-12.3.0
LLVM 16.0.6-GCCcore-12.3.0-python-3.10.8
NVHPC 23.7-CUDA-11.7.0
NVHPC 23.7-CUDA-12.2.0
NVHPC 23.7
data Arrow 14.0.1-gfbf-2023a
BeautifulSoup 4.12.2-GCCcore-12.3.0
dask 2023.9.2-foss-2023a
dill 0.3.7-GCCcore-12.3.0
GDAL 3.7.1-foss-2023a
h5netcdf 1.2.0-foss-2023a
h5py 3.2.1-foss-2023a
h5py 3.9.0-foss-2023a-CUDA-12.2.0
h5py 3.9.0-foss-2023a
HDF 4.2.16-2-GCCcore-12.3.0
HDF 4.2.16-GCCcore-12.3.0
HDF5 1.10.7-gompi-2023a
HDF5 1.14.0-gompi-2023a
HDF5 1.14.0-iimpi-2023a
LAME 3.100-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-C++4 4.3.1-iimpi-2023a
netCDF-Fortran 4.6.1-gompi-2023a
netCDF-Fortran 4.6.1-iimpi-2023a
scikit-learn 1.3.1-gfbf-2023a
debugger GDB 13.2-GCCcore-12.3.0
Valgrind 3.21.0-gompi-2023a
devel ant 1.10.14-Java-11
Autoconf 2.71-GCCcore-12.3.0
Autoconf 2.71
Automake 1.16.5-GCCcore-12.3.0
Automake 1.16.5
Autotools 20220317-GCCcore-12.3.0
Autotools 20220317
Bazel 6.1.0-GCCcore-12.3.0
Bazel 6.3.1-GCCcore-12.3.0
Boost 1.82.0-GCC-12.3.0
Boost.MPI 1.79.0-gompi-2023a
Boost.MPI 1.82.0-gompi-2023a
CMake 3.18.4-GCCcore-10.2.0
CMake 3.18.4
CMake 3.26.3-GCCcore-12.3.0
cuQuantum 23.10.0-CUDA-12.2.0
cuQuantum-Python 23.10.0-foss-2023a-CUDA-12.2.0
DBus 1.15.4-GCCcore-12.3.0
Doxygen 1.9.7-GCCcore-12.3.0
flatbuffers 23.5.26-GCCcore-12.3.0
flatbuffers-python 23.5.26-GCCcore-12.3.0
GObject-Introspection 1.76.1-GCCcore-12.3.0
gperf 3.1-GCCcore-12.3.0
intltool 0.51.0-GCCcore-12.3.0
libgit2 1.7.1-GCCcore-12.3.0
M4 1.4.18-GCCcore-10.2.0
M4 1.4.18
M4 1.4.19-GCCcore-12.3.0
M4 1.4.19
make 4.4.1-GCCcore-12.3.0
makeinfo 7.0.3-GCCcore-12.3.0
Mako 1.2.4-GCCcore-12.3.0
ncurses 5.9
ncurses 6.2-GCCcore-10.2.0
ncurses 6.2
ncurses 6.3
ncurses 6.4-GCCcore-12.3.0
nsync 1.26.0-GCCcore-12.3.0
NVSHMEM 2.9.0-gompi-2023a-CUDA-12.2.0
PCRE2 10.42-GCCcore-12.3.0
PCRE 8.45-GCCcore-12.3.0
pkgconf 1.8.0
pkgconf 1.9.5-GCCcore-12.3.0
pkg-config 0.29.2-GCCcore-12.3.0
pkgconfig 1.5.5-GCCcore-12.3.0-python
protobuf 24.0-GCCcore-12.3.0
protobuf-python 4.24.0-GCCcore-12.3.0
Pygments 2.18.0-GCCcore-12.3.0
PyZMQ 25.1.1-GCCcore-12.3.0
qsimcirq 0.17.0-foss-2023a
Qt5 5.15.10-GCCcore-12.3.0
ReFrame 4.4.0
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PyCairo 1.25.0-GCCcore-12.3.0
PyGObject 3.46.0-GCCcore-12.3.0
PyOpenCL 2023.1.4-foss-2023a-ifpgasdk-20.4
scikit-image 0.22.0-foss-2023a
setuptools 69.0.0-GCCcore-12.3.0
Tk 8.6.13-GCCcore-12.3.0
torchvision 0.16.0-foss-2023a-CUDA-12.1.1
VMD 1.9.4a57-foss-2023a-CUDA-12.2.0
VMD 1.9.4a57-foss-2023a
VTK 9.3.0-foss-2023a
Wayland 1.22.0-GCCcore-12.3.0
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
xprop 1.2.6-GCCcore-12.3.0
Xvfb 21.1.8-GCCcore-12.3.0

The 2023 staging stack

Click to expand/collapse the table of modules
Category Software Name Software Version/Toolchain/Info
ai jax 0.4.25-gfbf-2023a-CUDA-12.1.1
PyTorch 2.1.2-foss-2023a-CUDA-12.1.1
PyTorch 2.1.2-foss-2023a
PyTorch-bundle 2.1.2-foss-2023a-CUDA-12.1.1
rapidsai 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
base cirq-core 1.2.0-foss-2023a
Kokkos 4.1.0-GCC-12.3.0
Kokkos 4.4.0-GCC-12.3.0-CUDA-12.2.0
Kokkos 4.4.0-GCC-12.3.0
mpi-configs-ucx 4.1.5
mpi-configs ucx-cuda
mpi-configs ucx
ompi-configs 4.1.5-ucx-cuda
ompi-configs 4.1.5-ucx
ompi-configs 4.1.5ucx
ompi-configs 4.1.5-ucx-ucc-cuda
ompi-configs 4.1.5-ucx-ucc
qristal 1.7.0-rc0-GCC-12.3.0-CUDA-12.2.0
bio cooler 0.10.2-foss-2023a
cuDF 23.10.0-foss-2023a-CUDA-12.2.0
cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cudf-cudf 23.10.0-foss-2023a-CUDA-12.2.0
cuGraph 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cuML 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
cuSpatial 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
dask-cuDF 23.10.0-foss-2023a-CUDA-12.2.0-python-3.10.8
GROMACS 2022.5-foss-2023a-CUDA-12.2.0-PLUMED-2.9.0
GROMACS 2023.3-foss-2023a-CUDA-12.1.1
GROMACS 2023.3-foss-2023a-CUDA-12.1.1-PLUMED-2.9.0
GROMACS 2023.3-foss-2023a-CUDA-12.2.0
GROMACS 2023.3-foss-2023a
HH-suite 3.3.0-gompi-2023a
pyfaidx 0.8.1.1-GCCcore-12.3.0
Seaborn 0.13.2-gfbf-2023a
cae DualSPHysics 5.0.233-foss-2023a
DualSPHysics 5.0.233-GCC-12.3.0
OpenFOAM 10-foss-2023a
OpenFOAM v2306-foss-2023a
OpenFOAM v2312-foss-2023a
chem CheMPS2 1.8.12-foss-2023a
CP2K 2023.1-foss-2023a-CUDA-12.2.0
CP2K 2023.1-foss-2023a
CP2K 2023.1-foss-2023a-spglib-2.0.2
CPPE 0.3.1-GCC-12.3.0
Dice 20221025-foss-2023a
kim-api 2.3.0-GCC-12.3.0
kim-api 2.3.0-GCCcore-12.3.0
LAMMPS 2Aug2023_update2-foss-2023a-kokkos
libcint 5.4.0-gfbf-2023a
Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k
libxc 6.2.2-GCC-12.3.0
libxc 6.2.2-intel-compilers-2023.1.0
MDI 1.4.26-gompi-2023a
Molpro mpp-2015.1.38.linux_x86_64_openmp
NAMD 2.14-foss-2023a-mpi
NAMD 3.0b5-multicore-AVX512-bin
NAMD 3.0b5-multicore-bin
NAMD 3.0b5-multicore-CUDA-bin
NECI 20220711-foss-2023a
NWChem 7.2.2-foss-2023a
NWChem 7.2.2-intel-2023a
ORCA 5.0.4-gompi-2023a
PLUMED 2.9.0-foss-2023a
PyBerny 0.6.3-foss-2023a
PyCheMPS2 1.8.12-foss-2023a
PySCF 2.4.0-foss-2023a
QuantumESPRESSO 7.2-foss-2023a
QuantumESPRESSO 7.2-nvompic-2023a-NVHPC-23.7
spglib 2.0.2-GCCcore-12.3.0
Wannier90 3.1.0-foss-2023a
Wannier90 3.1.0-intel-2023a
WRF 4.5.1-foss-2023a-chem-dmpar
XCFun 2.1.1-GCCcore-12.3.0
compiler AOCC 4.0.0-GCCcore-12.3.0
Clang 16.0.6-GCCcore-12.3.0-CUDA-12.2.0
Clang 16.0.6-GCCcore-12.3.0
GCC 12.3.0
GCCcore 11.3.0
GCCcore 12.3.0
Go 1.20.4
Go 1.21.2
intel-compilers 2023.1.0
intel-fpga 2023.1.0
intel-oneapi 2024.1.0
LLVM 16.0.6-GCCcore-12.3.0
LLVM 16.0.6-GCCcore-12.3.0-python-3.10.8
NVHPC 23.7-CUDA-11.7.0
NVHPC 23.7-CUDA-12.2.0
NVHPC 23.7
data Arrow 14.0.1-gfbf-2023a
BeautifulSoup 4.12.2-GCCcore-12.3.0
dask 2023.9.2-foss-2023a
dill 0.3.7-GCCcore-12.3.0
dill 0.3.8-GCCcore-12.3.0
g2clib 1.7.0-GCCcore-12.3.0
g2lib 3.2.0-foss-2023a
GDAL 3.7.1-foss-2023a
h5netcdf 1.2.0-foss-2023a
h5py 3.2.1-foss-2023a
h5py 3.9.0-foss-2023a-CUDA-12.2.0
h5py 3.9.0-foss-2023a
HDF 4.2.16-2-GCCcore-12.3.0
HDF 4.2.16-GCCcore-12.3.0
HDF5 1.10.7-gompi-2023a
HDF5 1.14.0-gompi-2023a
HDF5 1.14.0-iimpi-2023a
HDF-EOS 2.20-GCCcore-12.3.0
HDF-EOS5 1.16-gompi-2023a
LAME 3.100-GCCcore-12.3.0
NCL 6.6.2-foss-2023a
netCDF 4.9.2-gompi-2023a
netCDF 4.9.2-iimpi-2023a
netCDF-C++4 4.3.1-gompi-2023a
netCDF-C++4 4.3.1-iimpi-2023a
netCDF-Fortran 4.6.1-gompi-2023a
netCDF-Fortran 4.6.1-iimpi-2023a
PnetCDF 1.12.3-gompi-2023a
PnetCDF 1.12.3-iimpi-2023a
PostgreSQL 16.1-GCCcore-12.3.0
scikit-learn 1.3.1-gfbf-2023a
SoX 14.4.2-GCCcore-12.3.0
debugger GDB 13.2-GCCcore-12.3.0
Valgrind 3.21.0-gompi-2023a
devel ant 1.10.14-Java-11
Autoconf 2.71-GCCcore-12.3.0
Autoconf 2.71
Automake 1.16.5-GCCcore-12.3.0
Automake 1.16.5
Autotools 20220317-GCCcore-12.3.0
Autotools 20220317
Bazel 6.1.0-GCCcore-12.3.0
Bazel 6.3.1-GCCcore-12.3.0
Boost 1.82.0-GCC-12.3.0
Boost.MPI 1.79.0-gompi-2023a
CMake 3.18.4
CMake 3.26.3-GCCcore-12.3.0
conan 1.60.2-GCCcore-12.3.0
cuQuantum 23.10.0-CUDA-12.2.0
cuQuantum 24.08.0-CUDA-12.2.0
cuQuantum-Python 23.10.0-foss-2023a-CUDA-12.2.0
cuQuantum-Python 23.8.0-foss-2023a-CUDA-12.2.0
cuQuantum-Python 24.8.0-foss-2023a-CUDA-12.2.0
DBus 1.15.4-GCCcore-12.3.0
Doxygen 1.9.7-GCCcore-12.3.0
flatbuffers 23.5.26-GCCcore-12.3.0
flatbuffers-python 23.5.26-GCCcore-12.3.0
GObject-Introspection 1.76.1-GCCcore-12.3.0
gperf 3.1-GCCcore-12.3.0
intltool 0.51.0-GCCcore-12.3.0
libelfin 0.3-GCCcore-12.3.0
libgit2 1.7.1-GCCcore-12.3.0
M4 1.4.18
M4 1.4.19-GCCcore-12.3.0
M4 1.4.19
make 4.4.1-GCCcore-12.3.0
makedepend 1.0.7-GCCcore-12.3.0
makeinfo 7.0.3-GCCcore-12.3.0
Mako 1.2.4-GCCcore-12.3.0
ncurses 5.9
ncurses 6.2
ncurses 6.3
ncurses 6.4-GCCcore-12.3.0
ncurses 6.5-GCCcore-12.3.0
NLTK 3.8.1-foss-2023a
nsync 1.26.0-GCCcore-12.3.0
NVSHMEM 2.9.0-gompi-2023a-CUDA-12.2.0
PCRE2 10.42-GCCcore-12.3.0
PCRE 8.45-GCCcore-12.3.0
pkgconf 1.8.0
pkgconf 1.9.5-GCCcore-12.3.0
pkg-config 0.29.2-GCCcore-12.3.0
pkgconfig 1.5.5-GCCcore-12.3.0-python
protobuf 23.0-GCCcore-12.3.0
protobuf 24.0-GCCcore-12.3.0
protobuf-python 4.23.0-GCCcore-12.3.0
protobuf-python 4.24.0-GCCcore-12.3.0
pydantic 1.10.13-GCCcore-12.3.0
PyZMQ 25.1.1-GCCcore-12.3.0
qsimcirq 0.17.0-foss-2023a
Qt5 5.15.10-GCCcore-12.3.0
ReFrame 4.4.0
Spack 0.21.2
Spark 3.5.0-foss-2023a
SQLite 3.42.0-GCCcore-12.3.0
SWIG 4.1.1-GCCcore-12.3.0
texlive 20230313-GCC-12.3.0
typing-extensions 4.8.0-GCCcore-12.3.0
typing-extensions 4.9.0-GCCcore-12.3.0
xcb-proto 1.16.0
xcb-util 0.4.1-foss-2023a
xcb-util-image 0.4.1-foss-2023a
xcb-util-keysyms 0.4.1-foss-2023a
xcb-util-renderutil 0.3.10-foss-2023a
xcb-util-wm 0.4.2-foss-2023a
xorg-macros 1.20.0-GCCcore-12.3.0
xproto 7.0.31-GCCcore-12.3.0
ZeroMQ 4.3.4-GCCcore-12.3.0
geo ESMF 8.4.2-foss-2023a
ESMF 8.4.2-intel-2023a
WPS 4.4-foss-2023a-dmpar
WRF 4.5.1-foss-2023a-dmpar
WRF-Fire 4.4-foss-2023a-dmpar
lang Bison 3.8.2-GCCcore-12.3.0
Bison 3.8.2
coccinelle 1.2-GCC-12.3.0
dotNET-Core-Runtime 7.0.11-GCCcore-12.3.0
dotNET-SDK 7.0.401-linux-x64
flex 2.6.4-GCCcore-12.3.0
flex 2.6.4
FriBidi 1.0.12-GCCcore-12.3.0
Java 11.0.18
Java 17.0.6
Java .modulerc
Julia 1.10.0-linux-x86_64
Julia 1.9.3-linux-x86_64
Lua 5.4.6-GCCcore-12.3.0
NASM 2.16.01-GCCcore-12.3.0
nodejs 18.17.1-GCCcore-12.3.0
numba 0.57.1-foss-2023a-CUDA-12.2.0-python-3.10.8
numba 0.58.1-foss-2023a-CUDA-12.2.0
numba 0.58.1-foss-2023a
OCaml 5.1.1-GCC-12.3.0
Perl 5.36.1-GCCcore-12.3.0
Perl 5.36.1-GCCcore-12.3.0-minimal
Perl 5.38.2-GCCcore-12.3.0
Perl-bundle-CPAN 5.36.1-GCCcore-12.3.0
PyCUDA 2023.1-foss-2023a-CUDA-12.2.0
Python 2.7.18-GCCcore-12.3.0
Python 3.10.8-GCCcore-12.3.0
Python 3.11.3-GCCcore-12.3.0
Python 3.12.4-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
R 4.3.2-foss-2023a-bare
R 4.3.2-foss-2023a
R 4.3.2-gfbf-2023a
Rust 1.70.0-GCCcore-12.3.0
Rust 1.75.0-GCCcore-12.3.0
SciPy-bundle 2023.07-gfbf-2023a
SciPy-bundle 2023.07-gfbf-2023a-python-3.10.8
Tcl 8.6.13-GCCcore-12.3.0
Tkinter 3.11.3-GCCcore-12.3.0
Yasm 1.3.0-GCCcore-12.3.0
lib Abseil 20230125.2-GCCcore-12.3.0
Abseil 20230125.3-GCCcore-12.3.0
ACTC 1.1-GCCcore-12.3.0
aiohttp 3.8.5-GCCcore-12.3.0
aws-cli 2.7.1
Boost.Python 1.82.0-GCC-12.3.0
Brotli 1.0.9-GCCcore-12.3.0
Brunsli 0.1-GCCcore-12.3.0
c-ares 1.19.1-GCCcore-12.3.0
Catch2 2.13.9
Cereal 1.3.2-GCCcore-12.3.0
Cereal 1.3.2
CFITSIO 4.3.0-GCCcore-12.3.0
Check 0.15.2-GCCcore-12.3.0
cuQuantum 24.08.0.5-CUDA-12.1.1
cuTENSOR 1.7.0.1-CUDA-12.2.0
cuTENSOR 2.0.2.5-CUDA-12.2.0
CUTLASS 3.4.0-foss-2023a-CUDA-12.1.1
double-conversion 3.3.0-GCCcore-12.3.0
dtcmp 1.1.4-gompi-2023a
elfutils 0.189-GCCcore-12.3.0
ffnvcodec 12.0.16.0
FLAC 1.4.2-GCCcore-12.3.0
flash-attention 2.6.3-foss-2023a-CUDA-12.1.1
Flask 2.3.3-GCCcore-12.3.0
FlexiBLAS 3.3.1-GCC-12.3.0
freeglut 3.4.0-GCCcore-12.3.0
FUSE 2.9.7-GCCcore-12.3.0
FUSE 3.14.1-GCCcore-12.3.0
FUSE 3.16.2-GCCcore-12.3.0
GDRCopy 2.3.1-GCCcore-12.3.0
giflib 5.2.1-GCCcore-12.3.0
GitPython 3.1.40-GCCcore-12.3.0
GLM 0.9.9.8-GCCcore-12.3.0
GlobalArrays 5.8.2-foss-2023a
GlobalArrays 5.8.2-intel-2023a
gocryptfs 2.4.0-GCCcore-12.3.0
Graphene 1.10.8-GCCcore-12.3.0
graphite2 1.3.14-GCCcore-12.3.0
grpcio 1.57.0-GCCcore-12.3.0
Highway 1.0.4-GCCcore-12.3.0
ICU 73.2-GCCcore-12.3.0
IJulia 1.24.0-Julia-1.10.0
IJulia 1.24.2-Julia-1.9.3
Imath 3.1.7-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
LERC 4.0.0-GCCcore-12.3.0
libcircle 0.3-gompi-2023a
libdap 3.20.11-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
libglvnd 1.6.0-GCCcore-12.3.0
libiconv 1.17-GCCcore-12.3.0
libjpeg-turbo 2.1.5.1-GCCcore-12.3.0
libmad 0.15.1b-GCCcore-12.3.0
libogg 1.3.5-GCCcore-12.3.0
libopus 1.4-GCCcore-12.3.0
libpng 1.6.39-GCCcore-12.3.0
libpthread-stubs 0.5-GCCcore-12.3.0
libreadline 8.2-GCCcore-12.3.0
librosa 0.10.1-foss-2023a
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-GCCcore-12.3.0
libtool 2.4.7
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
libxcb 1.16.1-foss-2023a
libxml2 2.11.4-GCCcore-12.3.0
libxslt 1.1.38-GCCcore-12.3.0
libyaml 0.2.5-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
MATIO 1.5.26-GCCcore-12.3.0
mpi4py 3.1.4-gompi-2023a
muparserx 4.0.12-GCCcore-12.3.0
NCCL 2.18.3-GCCcore-12.3.0-CUDA-11.7.0
NCCL 2.18.3-GCCcore-12.3.0-CUDA-12.1.1
NCCL 2.18.3-GCCcore-12.3.0-CUDA-12.2.0
NCCL 2.18.3-GCCcore-12.3.0-CUDA-12.3.2
nettle 3.9.1-GCCcore-12.3.0
nlohmann_json 3.11.2-GCCcore-12.3.0
NSPR 4.35-GCCcore-12.3.0
NSS 3.89.1-GCCcore-12.3.0
OpenJPEG 2.5.0-GCCcore-12.3.0
PMIx 4.2.6-GCCcore-12.3.0
pocl 4.0-GCC-12.3.0
poppler 23.09.0-GCC-12.3.0
popt 1.19
PROJ 9.2.0-GCCcore-12.3.0
psutil 5.9.8-GCCcore-12.3.0
psycopg2 2.9.9-GCCcore-12.3.0
pybind11 2.11.1-GCCcore-12.3.0
pybind11 2.11.1-GCCcore-12.3.0-python-3.10.8
pytest 7.4.2-GCCcore-12.3.0
PyYAML 6.0-GCCcore-12.3.0
RapidJSON 1.1.0-20230928-GCCcore-12.3.0
RapidJSON 1.1.0-GCCcore-12.3.0
RE2 2023-08-01-GCCcore-12.3.0
s3cmd 2.2.0
scikit-build 0.17.6-GCCcore-12.3.0
scikit-build 0.17.6-GCCcore-12.3.0-python-3.10.8
SDL2 2.28.2-GCCcore-12.3.0
SentencePiece 0.2.0-GCC-12.3.0
SIONlib 1.7.7-GCCcore-12.3.0-tools
snappy 1.1.10-GCCcore-12.3.0
spdlog 1.11.0-GCCcore-12.3.0
SQLAlchemy 2.0.25-GCCcore-12.3.0
squashfuse 0.2.0-GCCcore-12.3.0
squashfuse 0.5.0-GCC-12.3.0
squashfuse 0.5.0-GCCcore-12.3.0
squashfuse 0.5.2-GCCcore-12.3.0
SymEngine 0.11.2-GCC-12.3.0
SymEngine-python 0.11.0-GCC-12.3.0
tbb 2021.10.0-GCCcore-12.3.0
tbb 2021.11.0-GCCcore-12.3.0
tensorboard 2.15.1-gfbf-2023a
TensorFlow 2.13.0-foss-2023a
TensorFlow 2.15.1-foss-2023a-CUDA-12.1.1
TensorRT 10.0.0-foss-2023a-CUDA-12.2.0
tornado 6.3.2-GCCcore-12.3.0
tqdm 4.66.1-GCCcore-12.3.0
UCC 1.2.0-GCCcore-12.3.0
UCC-CUDA 1.2.0-GCCcore-12.3.0-CUDA-11.7.0
UCC-CUDA 1.2.0-GCCcore-12.3.0-CUDA-12.1.1
UCC-CUDA 1.2.0-GCCcore-12.3.0-CUDA-12.2.0
UCC-CUDA 1.2.0-GCCcore-12.3.0-CUDA-12.3.2
UCX 1.14.1-GCCcore-12.3.0
UCX-CUDA 1.14.1-GCCcore-12.3.0-CUDA-11.7.0
UCX-CUDA 1.14.1-GCCcore-12.3.0-CUDA-12.1.1
UCX-CUDA 1.14.1-GCCcore-12.3.0-CUDA-12.2.0
UCX-CUDA 1.14.1-GCCcore-12.3.0-CUDA-12.3.2
utf8proc 2.8.0-GCCcore-12.3.0
Xerces-C++ 3.2.4-GCCcore-12.3.0
zlib 1.2.11
zlib 1.2.12
zlib 1.2.13-GCCcore-12.3.0
zlib 1.2.13
zstd 1.5.5-GCCcore-12.3.0
math CVXOPT 1.3.1-foss-2023a
Eigen 3.4.0-GCCcore-12.3.0
einops 0.7.0-GCCcore-12.3.0
ELPA 2023.05.001-foss-2023a
ELPA 2023.05.001-intel-2023a
FLINT 3.0.1-gfbf-2023a
GEOS 3.12.0-GCC-12.3.0
GMP 6.2.1-GCCcore-12.3.0
gmpy2 2.1.5-GCC-12.3.0
ISL 0.26-GCCcore-12.3.0
jupyter-matlab-proxy 0.10.0-GCCcore-12.3.0
jupyter-matlab-proxy 0.11.0-GCCcore-12.3.0
KaHIP 3.14-gompi-2023a
KaHIP 3.16-gompi-2023a
libcerf 2.3-GCCcore-12.3.0
libxsmm 1.17-GCC-12.3.0
magma 2.7.2-foss-2023a-CUDA-11.7.0
magma 2.7.2-foss-2023a-CUDA-12.1.1
magma 2.7.2-foss-2023a-CUDA-12.2.0
matlab-proxy 0.12.1-GCCcore-12.3.0
MCR R2023a
MCR R2023b
MCR R2024a
METIS 5.1.0-GCCcore-12.3.0
MPC 1.3.1-GCCcore-12.3.0
MPFR 4.2.0-GCCcore-12.3.0
MUMPS 5.5.1-foss-2023a-metis
MUMPS 5.6.1-foss-2023a-metis
NTL 11.5.1-GCC-12.3.0
p4est 2.8.6-foss-2023a
ParMETIS 4.0.3-gompi-2023a
ParMETIS 4.0.3-iimpi-2023a
Qhull 2020.2-GCCcore-12.3.0
retworkx 0.13.2-foss-2023a
rustworkx 0.13.2-foss-2023a
ScaFaCoS 1.0.4-foss-2023a
SCOTCH 7.0.3-gompi-2023a
Shapely 2.0.1-gfbf-2023a-python-3.10.8
sympy 1.12-gfbf-2023a
Voro++ 0.4.6-GCCcore-12.3.0
mpi HCOLL 4.7.3208
HPCX 2.16-GCCcore-12.3.0
impi 2021.9.0-intel-compilers-2023.1.0
MVAPICH2 2.3.7-GCC-12.3.0
OpenMPI 4.1.5-GCC-12.3.0
OpenMPI 4.1.5-NVHPC-23.7-CUDA-11.7.0
OpenMPI 4.1.5-NVHPC-23.7-CUDA-12.2.0
OpenMPI 5.0.0-GCC-12.3.0
psmpi 5.9.2-1-GCC-12.3.0-CUDA-12.2.0
psmpi 5.9.2-1-GCC-12.3.0
numlib Armadillo 12.6.2-foss-2023a
arpack-ng 3.9.0-foss-2023a
BLIS 0.9.0-GCC-12.3.0
CGAL 5.6-GCCcore-12.3.0
cuDNN 8.8.0.121-CUDA-12.2.0
cuDNN 8.9.2.26-CUDA-11.7.0
cuDNN 8.9.2.26-CUDA-12.1.1
cuDNN 8.9.2.26-CUDA-12.2.0
FFTW 3.3.10-GCC-12.3.0
FFTW.MPI 3.3.10-gompi-2023a
GSL 2.7-GCC-12.3.0
Hypre 2.28.0-foss-2023a
Hypre 2.29.0-foss-2023a
imkl 2023.1.0
imkl-FFTW 2023.1.0-iimpi-2023a
NLopt 2.7.1-GCCcore-12.3.0
OpenBLAS 0.3.23-GCC-12.3.0
PETSc 3.19.4-foss-2023a
PETSc 3.20.3-foss-2023a
ScaLAPACK 2.2.0-gompi-2023a-fb
SuiteSparse 5.13.0-foss-2023a-METIS-5.1.0
SuiteSparse 7.1.0-foss-2023a
SuperLU_DIST 8.1.2-foss-2023a
Trilinos 13.4.1-foss-2023a
perf Advisor 2023.2.0
AMD-uProf 4.1.424
coz 0.2.2-GCCcore-12.3.0
CubeGUI 4.8.2-GCCcore-12.3.0
CubeLib 4.8.1-GCCcore-12.3.0
CubeWriter 4.8.1-GCCcore-12.3.0
Extrae 4.0.6-gompi-2023a
OPARI2 2.0.7-GCCcore-12.3.0
OSU-Micro-Benchmarks 7.2-gompi-2023a-CUDA-12.2.0
OSU-Micro-Benchmarks 7.2-gompi-2023a
OTF2 3.0.3-GCCcore-12.3.0
PAPI 7.0.1-GCCcore-12.3.0
Paraver 4.11.1-foss-2023a
PDT 3.25.1-GCCcore-12.3.0
Scalasca 2.6.1-gompi-2023a-CUDA-12.2.0
Scalasca 2.6.1-gompi-2023a
Score-P 8.1-gompi-2023a-CUDA-12.2.0
Score-P 8.1-gompi-2023a
phys Block 1.5.3-20200525-foss-2023a
deal.II 9.5.2-foss-2023a
deal.II 9.5.2-foss-2023a-trilinos
UDUNITS 2.2.28-GCCcore-12.3.0
quantum PennyLane 0.36.0-foss-2023a-cirq
PennyLane 0.37.0-foss-2023a
PennyLane 0.37.0-foss-2023a-qiskit
PennyLane-Lightning 0.37.0-foss-2023a-CUDA-12.2.0-lightning_gpu
PennyLane-Lightning 0.37.0-foss-2023a-Kokkos-CUDA-12.2.0
PennyLane-Lightning 0.37.0-foss-2023a-Kokkos
PennyLane-Lightning 0.37.0-foss-2023a-lightning_qubit
PennyLane-Lightning 0.37.0-foss-2023a-Tensor
QCFPGA 0.0.1-foss-2023a-ifpgasdk-20.4
Qiskit 0.45.1-foss-2023a
xacc 1.1.0-foss-2023a
system CUDA 11.7.0
CUDA 12.1.1
CUDA 12.2.0
CUDA 12.3.0
CUDA 12.3.2
hwloc 2.9.1-GCCcore-12.3.0
libdeflate 1.18-GCCcore-12.3.0
libpciaccess 0.17-GCCcore-12.3.0
OpenPGM 5.2.122-GCCcore-12.3.0
OpenSSL 1.1
toolchain foss 2023a
gfbf 2023a
gompi 2023a
iimpi 2023a
intel 2023a
nvompic 2023.07
nvompic 2023a
tools 520nmx 20.4
absl-py 2.1.0-GCCcore-12.3.0
ANTLR 2.7.7-GCCcore-12.3.0-Java-11
Apptainer 1.2.4-GCCcore-12.3.0
Apptainer 1.3.1-GCCcore-12.3.0
archspec 0.2.1-GCCcore-12.3.0
aria2 1.36.0-GCCcore-12.3.0
Arm-Forge 22.1.3-GCC-12.3.0
attr 2.5.1-GCCcore-12.3.0
AutoDock-GPU 1.5.3-GCC-12.3.0-CUDA-12.1.1
bcrypt 4.0.1-GCCcore-12.3.0
binutils 2.35
binutils 2.38
binutils 2.40-GCCcore-12.3.0
binutils 2.40
bokeh 3.2.2-foss-2023a
bzip2 1.0.8-GCCcore-12.3.0
cffi 1.15.1-GCCcore-12.3.0
cffi 1.15.1-GCCcore-12.3.0-python-3.10.8
configurable-http-proxy 4.5.6-GCCcore-12.3.0
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
cURL 8.0.1-GCCcore-12.3.0
darshan-runtime 3.4.4-gompi-2023a-HDF5-1.14.0
darshan-runtime 3.4.4-iimpi-2023a-HDF5-1.14.0
darshan-util 3.4.4-GCCcore-12.3.0
EasyBuild 4.8.0
EasyBuild 4.9.2
eSpeak-NG 1.51-gfbf-2023a
expat 2.5.0-GCCcore-12.3.0
expecttest 0.1.5-GCCcore-12.3.0
flit 3.9.0-GCCcore-12.3.0
flit 3.9.0-GCCcore-12.3.0-python-3.10.8
fpga-samples 1.0.0
gettext 0.21.1-GCCcore-12.3.0
gettext 0.21.1
gettext 0.21
Ghostscript 10.01.2-GCCcore-12.3.0
git 2.41.0-GCCcore-12.3.0-nodocs
git-lfs 3.4.0
GLPK 5.0-GCCcore-12.3.0
googletest 1.13.0-GCCcore-12.3.0
gperftools 2.12-GCCcore-12.3.0
groff 1.22.4-GCCcore-12.3.0
gzip 1.12-GCCcore-12.3.0
hatchling 1.18.0-GCCcore-12.3.0
hatchling 1.18.0-GCCcore-12.3.0-python-3.10.8
hatchling 1.24.2-GCCcore-12.3.0
help2man 1.49.2-GCCcore-11.3.0
help2man 1.49.3-GCCcore-12.3.0
hoomd-blue 4.6.0-foss-2023a
Horovod 0.28.1-foss-2023a-CUDA-12.1.1-PyTorch-2.1.2
hypothesis 6.82.0-GCCcore-12.3.0
hypothesis 6.82.0-GCCcore-12.3.0-python-3.10.8
ifpgasdk 20.4
Inspector 2023.2.0
IOR 3.3.0-gompi-2023a
IPython 8.14.0-GCCcore-12.3.0
IRkernel 1.3.2-foss-2023a-R-4.3.2
itac 2021.10.0
jupyter-contrib-nbextensions 0.7.0-GCCcore-12.3.0
JupyterHub 4.0.2-GCCcore-12.3.0
JupyterLab 3.2.8-GCCcore-12.3.0
JupyterLab 4.0.5-GCCcore-12.3.0
JupyterLab 4.0.9-GCCcore-12.3.0
jupyterlab-lsp 5.0.1-GCCcore-12.3.0
jupyter-lsp 2.2.1-GCCcore-12.3.0
JupyterNotebook 6.5.6-GCCcore-12.3.0
JupyterNotebook 7.0.2-GCCcore-12.3.0
jupyter-server 2.7.2-GCCcore-12.3.0
jupyter-server-proxy 4.0.0-GCCcore-12.3.0
libarchive 3.6.2-GCCcore-12.3.0
libcap 1.2.53-GCCcore-12.3.0
Linaro-Forge 23.0.3-GCC-12.3.0
Linaro-Forge 24.0.2-GCC-12.3.0
maturin 1.1.0-GCCcore-12.3.0
maturin 1.4.0-GCCcore-12.3.0-Rust-1.70.0
maturin 1.4.0-GCCcore-12.3.0-Rust-1.75.0
MBROLA 3.3-GCCcore-12.3.0-voices-20200330
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
ml_dtypes 0.3.2-gfbf-2023a
moreutils 0.69-GCCcore-12.3.0
mpifileutils 0.11.1-foss-2023a
NCO 5.1.3-foss-2023a
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
Nsight-Compute 2023.2.1
Nsight-Compute 2024.1.1
Nsight-Systems 2023.2.1
numactl 2.0.16-GCCcore-12.3.0
nvtop 3.1.0-GCCcore-12.3.0
p7zip 17.04-GCCcore-12.3.0
parallel 20230722-GCCcore-12.3.0
parameterized 0.9.0-GCCcore-12.3.0
patchelf 0.18.0-GCCcore-12.3.0
poetry 1.5.1-GCCcore-12.3.0
poetry 1.5.1-GCCcore-12.3.0-python-3.10.8
pscom 5.7.0-1-GCCcore-12.3.0-CUDA-12.2.0
pscom 5.7.0-1-GCCcore-12.3.0
PycURL 7.45.2-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
pytest-xdist 3.3.1-GCCcore-12.3.0
Quandl 3.7.0-foss-2023a
re2c 3.1-GCCcore-12.3.0
Scalene 1.5.26-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
setuptools-rust 1.9.0-GCCcore-12.3.0
Singularity-CE 4.0.1
sonic 20180202-gfbf-2023a
Szip 2.1.1-GCCcore-12.3.0
tcsh 6.24.10-GCCcore-12.3.0
thrift 0.16.0-GCCcore-12.3.0
time 1.9-GCCcore-12.3.0
UnZip 6.0-GCCcore-12.3.0
util-linux 2.39-GCCcore-12.3.0
virtualenv 20.23.1-GCCcore-12.3.0
virtualenv 20.23.1-GCCcore-12.3.0-python-3.10.8
VTune 2023.2.0
xxd 9.0.2112-GCCcore-12.3.0
xxd 9.0.2116-GCCcore-12.3.0
XZ 5.4.2-GCCcore-12.3.0
Z3 4.12.2-GCCcore-12.3.0
Z3 4.12.2-GCCcore-12.3.0-Python-3.11.3
Zip 3.0-GCCcore-12.3.0
vis 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
cairo 1.17.8-GCCcore-12.3.0
FFmpeg 6.0-GCCcore-12.3.0
FLTK 1.3.8-GCCcore-12.3.0
fontconfig 2.14.2-GCCcore-12.3.0
freetype 2.13.0-GCCcore-12.3.0
Gdk-Pixbuf 2.42.10-GCCcore-12.3.0
GLib 2.77.1-GCCcore-12.3.0
gnuplot 5.4.8-GCCcore-12.3.0
Graphviz 8.1.0-GCCcore-12.3.0
graphviz-python 0.20.1-GCCcore-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
HarfBuzz 5.3.1-GCCcore-12.3.0
imageio 2.33.1-gfbf-2023a
ImageMagick 7.1.1-15-GCCcore-12.3.0
JasPer 1.900.1-foss-2023a
JasPer 2.0.33-GCCcore-12.3.0
JasPer 4.0.0-GCCcore-12.3.0
jbigkit 2.1-GCCcore-12.3.0
libGLU 9.0.3-GCCcore-12.3.0
libXau 1.0.11-foss-2023a
libXdmcp 1.1.5-foss-2023a
LittleCMS 2.15-GCCcore-12.3.0
matplotlib 3.7.2-gfbf-2023a
Mesa 23.1.4-GCCcore-12.3.0
OpenCV 4.8.1-foss-2023a-CUDA-12.1.1-contrib
OpenCV 4.8.1-foss-2023a-CUDA-12.2.0-contrib
OpenEXR 3.1.7-GCCcore-12.3.0
Pango 1.50.14-GCCcore-12.3.0
ParaView 5.11.2-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
POV-Ray 3.7.0.10-GCC-12.3.0
PyCairo 1.25.0-GCCcore-12.3.0
PyGObject 3.46.0-GCCcore-12.3.0
PyOpenCL 2023.1.4-foss-2023a-ifpgasdk-20.4
scikit-image 0.22.0-foss-2023a
setuptools 67.0.0-GCCcore-12.3.0
setuptools 69.0.0-GCCcore-12.3.0
Tk 8.6.13-GCCcore-12.3.0
torchvision 0.16.0-foss-2023a-CUDA-12.1.1
VMD 1.9.4a57-foss-2023a-CUDA-12.2.0
VMD 1.9.4a57-foss-2023a
VTK 9.2.6-foss-2023a
VTK 9.3.0-foss-2023a
Wayland 1.22.0-GCCcore-12.3.0
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
xprop 1.2.6-GCCcore-12.3.0
Xvfb 21.1.8-GCCcore-12.3.0

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>

NVIDIA GPU Containers (NGC) modules

Our software suite has been enhanced to include Nvidia GPU Containers (NGC). This integration brings a significant upgrade to our capabilities, offering advanced GPU-accelerated applications and tools designed by Nvidia. With NGC, users will have access to a comprehensive catalog of GPU-optimized software for deep learning, machine learning, and high-performance computing (HPC) applications. This addition is part of our commitment to providing the most advanced and efficient tools to our users, ensuring they have access to cutting-edge technology for their computational needs.

Please see here for more on NGC modules.

MPI runtimes

MeluXina User Software Envronment (MUSE) main MPI runtime is the widely used OpenMPI which is capable of handling direct communication with GPU memory, making it CUDA-aware by default. MUSE also offers two more MPI runtimes: ParaStationMPI (which is also CUDA-aware) and IntelMPI.

The OpenMPI runtime automatically load a new standard module, referred to as ompi-configs, designed to configure the system suitably for the majority of users. The MeluXina User Software Envronment (MUSE) provides various versions of these configuration modules tailored to different scenarios. It’s important to note that the available MPI runtimes are highly adaptable, and the modules provided in MUSE represent just a selection of the possible configurations. It may be beneficial to experiment with the different possibilities in order to find the most suitable configuration for your application/run. The different provided configuration modules should give at least acceptable if not optimal configuration for all users cases. These module configs use UCX and UCC to configure the OpenMPI runtime (They will be extended to ParaSatationMPI and IntelMPI runtimes in a near future).

UCX (Unified Communication X) and UCC (Unified Collective Communication) are frameworks designed to enhance the performance and scalability of applications running on high-performance computing (HPC) and cloud infrastructures. UCX provides an optimized communication layer that facilitates efficient data transfer between devices in a network, supporting a variety of high-speed networking technologies like InfiniBand, RoCE, and more. It's particularly known for its use in facilitating efficient message passing and remote memory access, essential for modern computing applications. On the other hand, UCC focuses specifically on collective communication operations such as broadcasts, reductions and all to all which are common in parallel computing frameworks. UCC works to streamline and optimize these operations across different hardware and network configurations, aiming to improve overall computational efficiency and performance in large-scale environments. Together, UCX and UCC provide a comprehensive suite of tools that address the communication needs of advanced computing systems, supporting a wide range of HPC applications and frameworks.

The following ompi_configs modules are available on MUSE:

  • ompi-configs/ucx: This is the default ompi_configs module for CPU and largemem nodes which is set up to take advantage of UCX as the primary communication library. Additional configuration options are accessible via ompi_info -a.

  • ompi-configs/ucx-cuda: Similar to the ompi-configs/ucx module, this version establish the activation of CUDA transports within the UCX module, thus facilitating CUDA-aware operations. It is provided as the standard ompi_configs module GPU nodes.

  • ompi-configs/ucx-ucc: This configuration mirrors the ompi-configs/ucx module but defaults and prioritizes to using UCC for collective communication.

  • ompi-configs/ucx-cuda-ucc: This configuration mirrors the ompi-configs/ucx-cuda and integrates UCC as the default framwork for collective communication.

In the context of UCX, a transport refers to the underlying communication technology used for data transfer between nodes in a network. UCX supports various types of transports, each designed to optimize communications under different network configurations and hardware. These transports handle the actual movement of data across the network, and they can be tailored for specific types of hardware interfaces and communication protocols, such as InfiniBand, RDMA (Remote Direct Memory Access), shared memory, TCP/IP, and more.

The choice of transport affects performance characteristics such as latency, bandwidth, and scalability. We, therefore, also provides modules for pre-configuring UCX transport selection:

  • ucx-configs/ud exclusively activates the Unreliable Datagram (UD) transport, which is also known for its lower memory usage and suitability for small and medium-sized simulations. Due to problems on MeluXina with RC transport, UD remains the preferred transport for general use, even on large scall simulations.

  • ucx-configs/ud-cuda activates both the Unreliable Datagram (UD) and CUDA transports. UD is known for its smaller memory requirement compared to RC and is preferred for all general GPU simulations.

  • ucx-configs/dc turns on the Dynamically Connected (DC) transport, which is the Nvidia/Mellanox scalable offloaded dynamic connection transport. Although DC is characterized by a low memory footprint, making it potentially suitable for large-scale simulations, it has proved to be a much slower transport than UD for medium and large scale simulations.

  • ucx-configs/dc-cuda includes both the Dynamically Connected (DC) transport and CUDA. It is known for its low memory usage and is potentially suitable for very large GPU simulations.

  • ucx-configs/rc configures the system for the Reliable Connected (RC) transport alone. It has many known issues on our system and we don't advise using it for now.

  • ucx-configs/rc-cuda configures the system to utilize both the Reliable Connected (RC) and CUDA transports. It has many known issues on our system and we don't advise using it for now.

  • ucx-configs/plain removes any specific transport restrictions, allowing UCX to freely select the most appropriate transport based on its internal heuristics. This setting is similar to not using any ucx-configs module, giving full control back to UCX’s default decision-making processes.