Module system

HPC facilities provide a user friendly environment to manage a large number of codes and versions of those codes, on this cluster, we have lmod [1] module system available to manage the user environment. To see the codes that are available, the module command is available:

 $ module avail
  -------------------------- /usr/share/modulefiles -------------------------------------
  mpi/openmpi-x86_64

  ------------------------ /opt/ohpc/pub/modulefiles --------------------------------------
  applications/gpu/gromacs/2024.4    applications/gpu/qespresso/7.3.1

the module system also provide a set of additional commands for managing modules: module load to activate an environment:

   module load applications/gpu/gromacs/2024.4

Module unload:

   module unload applications/gpu/gromacs/2024.4

module purge:

   module purge

and module list, to show loaded modules

   module list

Available Codes

Here are some of the pre-configured GPU capable codes available on the cluster:

• Quantum Espresso
• Gromacs
• Tensorflow ( in conda-25.1.1-python-3.9.21 module )
• PyTorch ( in conda-25.1.1-python-3.9.21 module )

Watch Demo

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