Software Stack Update 2026-06-29

Duration¶

• Planned June 29, 2026

Plan of action¶

• SOFTWARE: Update and expand the HPC software module stack

  Updated modules:

  • AMS 2026.103 (was 2025.103)
  • Bowtie 2 2.5.4 (was 2.5.2)
  • COMSOL Multiphysics 6.4 build 378 (was 6.4 build 343)
  • CUDA 12.6.3 (was 12.6.2)
  • GCC C, C++ and Fortran compilers 13.4.0 (was 14.2.0) — version downgraded to support the CUDA compute capabilities of GPUs in RC
  • GROMACS 2025.3, MPI with CUDA version (was 2022.5)
  • Intel MPI 2021.17.0 (was 2021.14.0)
  • Intel oneAPI TBB 2022.3.0 (was 2022.0.0)
  • Miniforge3 25.3.0-3 (was 24.3.0-0)
  • Molden 7.3 (was 6.7)
  • NVHPC 25.1 (was 24.9)
  • OpenBLAS 0.3.30 (was 0.3.28)
  • Open MPI 5.0.7, with and without CUDA versions (was 5.0.5)
  • Python 3.12.12 (was 3.13.0) — version downgraded due to support needed for NumPy 1.26.4 to build Amber 24
  • Samtools 1.21 (was 1.19.2)
  • UV 0.7.22 (was 0.4.27)

  Added modules:

  • 3D Slicer 5.10.0
  • Amber 24, CUDA and MPI versions
  • Btop 1.4.4
  • FFTW 3.3.10, MPI versions with and without CUDA
  • Matplotlib 3.10.7
  • NCCL 2.28.7-1
  • NetCDF C 4.9.3
  • NetCDF-4 C++ 4.3.1
  • NetCDF Fortran 4.3.1
  • NumPy 1.26.4
  • PnetCDF 1.14.1
  • Quantum ESPRESSO 7.5
  • SciPy 1.16.3
  • VTK 9.5.1