Gromacs

Gromacs can be enabled for use within your submission script (or interactively) with the following commands:

flight env activate gridware
module load apps/gromacs_cuda/2023.2/gcc-11.4.1+nvidia-cuda-11.8.0+openmpi-4.1.5+python3-3.10.5+fftw3_float-3.3.10+openblas-0.3.21