Software on Bede

These pages list software available on Bede 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.

• Applications
  • AMBER
  • Conda
  • EMAN2
  • Grace
  • GROMACS
  • NAMD
  • Open-CE
  • OpenMM
  • Python
  • PyTorch
  • R
  • Rust
  • TensorFlow
• Projects
  • HECBioSim
  • IBM Collaboration
• Environments
  • Spack
  • Easybuild
  • Cryo-EM Software Environment
• Compilers
  • GCC
  • LLVM
  • IBM XL
  • NVIDIA HPC SDK
  • NVCC (CUDA)
• Libraries
  • BLAS/LAPACK
  • Boost
  • FFTW
  • HDF5
  • MPI
  • NetCDF
  • NVIDIA Tools Extension
  • PLUMED
  • VTK
• Tools
  • Apptainer
  • CMake
  • Make
  • Nsight Compute
  • Nsight Systems
  • NVIDIA-SMI
  • Singularity CE