Software on Bede

These pages list software available on bessemer and/or instructions on how to install and use software which is not centrally installed.

If you notice any omissions, errors or have any suggested changes to the documentation please create an Issue or open a Pull Request on GitHub.

Note

The remaining RHEL 7 login environment and compute nodes are scheduled for removal on 2022-05-03.

For more information please see RHEL8 Migration page for more information.

• Applications
  • AMBER
  • Conda
    • Installing Miniconda
    • Creating a new Conda Environment
    • Listing and Activating existing Conda Environments
    • Adding Conda Channels to an Environment
    • Installing Conda Packages
    • Deleting Conda Environments
    • Further Information
  • EMAN2
  • Grace
  • GROMACS
  • NAMD
  • Open-CE
    • Using Open-CE
    • Why use Open-CE
    • Differences from WMLCE
  • OpenMM
  • Python
  • PyTorch
    • Installing via Conda
    • Further Information
  • R
  • Rust
  • TensorFlow
    • Installing via Conda (Open-CE)
    • Further Information
  • IBM WMLCE (End of Life)
    • Using IBM WMLCE (End of Life)
• Projects
  • HECBioSim
  • IBM Collaboration
• Environments
  • Spack
    • Installing Spack
    • Using Spack
    • Project Spack installations
  • Easybuild
  • Cryo-EM Software Environment
• Compilers
  • GCC
  • LLVM
  • IBM XL
  • NVIDIA HPC SDK
  • CUDA and NVCC
    • Setting the C++ language dialect
    • Optimisation Level and Debug Symbols
    • GPU Code Generation Options
    • Setting Host Compiler Options
    • Host Compiler Selection
• Libraries
  • BLAS/LAPACK
  • Boost
  • FFTW
  • HDF5
    • Known issues
  • MPI
  • NetCDF
  • NVIDIA Tools Extension
    • CMake support
    • Documentation
  • PLUMED
  • VTK
• Tools
  • CMake
  • Make
  • Nsight Compute
    • More Information
  • Nsight Systems
    • More Information
  • NVIDIA-SMI
    • Using nvidia-smi
  • Singularity