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Software Deployment

Software deployment on DGX-2 is based on containers. NVIDIA provides a wide range of prepared Docker containers with a variety of different software. Users can easily download these containers and use them directly on the DGX-2.

The catalog of all container images can be found on NVIDIA site. Supported software includes:

  • TensorFlow
  • MATLAB
  • GROMACS
  • Theano
  • Caffe2
  • LAMMPS
  • ParaView
  • ...

Running Containers on DGX-2

NVIDIA expects usage of Docker as a containerization tool, but Docker is not a suitable solution in a multiuser environment. For this reason, the Singularity container solution is used.

Singularity can be used similarly to Docker, just change the image URL address. For example, original command for Docker docker run -it nvcr.io/nvidia/theano:18.08 should be changed to singularity shell docker://nvcr.io/nvidia/theano:18.08. More about Singularity here.

For fast container deployment, all images are cached after first use in the lscratch directory. This behavior can be changed by the SINGULARITY_CACHEDIR environment variable, but the start time of the container will increase significantly.

$ ml av Singularity

---------------------------- /apps/modules/tools ----------------------------
   Singularity/3.3.0

MPI Modules

$ ml av MPI

---------------------------- /apps/modules/mpi ----------------------------
   OpenMPI/2.1.5-GCC-6.3.0-2.27    OpenMPI/3.1.4-GCC-6.3.0-2.27    OpenMPI/4.0.0-GCC-6.3.0-2.27 (D)    impi/2017.4.239-iccifort-2017.7.259-GCC-6.3.0-2.27

Compiler Modules

$ ml av gcc

---------------------------- /apps/modules/compiler ----------------------------
   GCC/6.3.0-2.27    GCCcore/6.3.0    icc/2017.7.259-GCC-6.3.0-2.27    ifort/2017.7.259-GCC-6.3.0-2.27

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