The July module updates and deprecations have been rolled out today. Please look out for deprecation warnings in your Slurm output.
After the Maintenance and Upgrade to Ubuntu 24.04 there are two major changes:
- The default cuda version is now v12.8, since this is what the nvidia driver natively supports.
- The intel/2023 compilers need a compatible GNU compiler. Unfortunately intel/2023 compilers are not compatible with gcc v13 which is the new Ubuntu default.
=> When loading intel/2023, gcc v11.5 compilers will now be loaded as well (but without overriding CC, CXX or FC environment variables)
Also please be aware of the following module changes, which just have been deployed (if default appears at the end, this is the new default!):
New/updated scientific Modules:
cp2k/2025.2-ompi5.0-cuda12.8-gcc13.2
cp2k/2025.2-ompi5.0-gcc13.2 (default)
comsol/6.3.0.335 (default)
elk/10.5.16-impi2021.10-intel2023.2 (default)
gromacs/2025.2-ompi5.0-gcc13.2-mkl2023.2-cuda12.9
lammps/20240829.4-ompi5.0-cuda12.9-gcc13.2
lammps/20240829.4-ompi5.0-gcc13.2 (default)
lammps/20250722.0-ompi5.0-cuda12.9-gcc13.2
lammps/20250722.0-ompi5.0-gcc13.2
mathematica/14.2.1 (default)
orca/6.1.0 (default)
qchem/6.3.0 (default)
qe/7.4.1-impi2021.10-intel2023.2 (default)
qe/7.4.1-ompi4.1-nvhpc24.1
siesta/5.4.0-ompi5.0-cf (default)
vasp6/6.5.1-impi2021.10-intel2023.2 (default)
vasp6/6.5.1-cuda12.3-ompi4.1-nvhpc24.1
vasp6/python3.12/6.5.1-impi2021.10-intel2023.2
New/updated common Modules:
cmake/3.31.8 (default)
cmake/4.0.3
cuda-compat/12.9.1
cuda/12.8.1 (default, in line with the CUDA level of the Nvidia driver)
cuda/12.9.1
emacs/30.1 (default)
gdrcopy/2.5
meson/1.8.3 (default)
micromamba/2.3.0 (default)
nccl/cu12.8/2.26.2
ninja/1.13.2 (default)
parallel/20250622 (default)
pmix/5.0.7 (default)
R/4.4.3-cf (default)
ucc/cu11x/1.4.4 (default)
ucc/cu12x/1.4.4 (default)
ucx/cu11x/1.19.0 (default)
ucx/cu12x/1.19.0 (default)
New/updated library Modules:
hdf5/1.14.6 (for compilers gcc/9.5, gcc/11.5, gcc/13.2, intel/2021.4, intel/2023.2, intel/2024.2, nvhpc/24.1) (default)
libxc/7.0.0 (for compilers gcc/13.2, intel/2023.2, intel/2024.2) (default)
openblas/lp64/0.3.30 (for compilers gcc/9.5, gcc/11.5, gcc/13.2) (default)
openblas/ilp64/0.3.30 (for compilers gcc/9.5, gcc/11.5, gcc/13.2)
gmp/6.3.0 (for compilers gcc/13.2) (default)
sqlite3/3.50.4 (for compilers gcc/9.5, gcc/11.5, gcc/13.2) (default)
tblite/0.4.0 (for compilers gcc/13.2) (default)
New/updated MPI Modules:
openmpi/4.1.8 (for compilers gcc/9.5, gcc/11.5, gcc/13.2, intel/2021.4, intel/2023.2, intel/2024.2) (default)
openmpi/5.0.8 (for compilers gcc/9.5, gcc/11.5, gcc/13.2, intel/2021.4, intel/2023.2, intel/2024.2) (default)
hdf5/1.14.6 (for compilers gcc/9.5, gcc/11.5, gcc/13.2, intel/2021.4, intel/2023.2, intel/2024.2, nvhpc/24.1) (default)
netcdf/c/4.9.3 (for compilers gcc/13, intel/2023.2, intel/2024.2) (default)
netcdf/fortran/4.6.2 (for compilers gcc/13, intel/2023.2, intel/2024.2) (default)
pnetcdf/1.14.0 (for compilers gcc/13, intel/2023.2, intel/2024.2) (default)
If you experience problems with any module, please let us know!