Index of Built-in Applications

This appendix contains an index of all the built-in applications available in UCloud/IM for Slurm. Please refer to the main chapter before reading this.

Name Notes

gromacs

Molecular dynamics software package mainly designed for simulations of proteins, lipids and nucleic acids. See their website for details.

Example:

name: gromacs

configurations:
- versions: ["2021.5"]

  load: |
    module load GCC/11.2.0
    module load OpenMPI/4.1.1

    {% if ucloud.machine.gpu > 0 %}
        module load GROMACS/{{ appVersion }}-CUDA-11.4.1
    {% else %}
        module load GROMACS/{{ appVersion }}
    {% endif %}