Check this page regularly as it will be updated frequently over the incoming months as the deployment of the software progresses.
All you need to know to get started on Setonix Phase 2 - GPU partition.
Overview
The GPU partition of Setonix is made up of 192 nodes, 38 of which are high memory nodes (512 GB RAM instead of 256GB). Each GPU node features 4 AMD MI250X GPUs, as depicted in figure 1. Each MI250X comprises 2 Graphics Complex Die (GCD), each effectively seen as a standalone GPU by the system. A 64-core AMD Trento CPU is connected to the four MI250X with the AMD InfinityFabric interconnect, the same interconnection between the GPU cards, with a peak bandwidth of 200Gb/s—more information at Setonix General Information.
Figure 1. A GPU node of Setonix
Supported Applications
Several scientific applications are already able to offload computations to the MI250X, many others are in the process of being ported to AMD GPUs. Here is a list of the main ones and their current status.
Name | Support status | Module on Setonix |
---|---|---|
Amber | Supported | |
Gromacs | Supported | |
LAMMPS | Supported | |
NAMD | Supported | |
NekRS | Supported | |
PyTorch | Supported | |
ROMS | Not supported | |
Tensorflow | Supported | |
VASP | Porting in progress, no ETA |
Table 1. List of popular applications
Module names of GPU applications end with the postfix amd-mi250
x. The most accurate list is given by the module
command:
$ module avail mi-250x
Supported Numerical Libraries
Popular numerical routines and functions have been implemented by AMD to run on their GPU hardware. All of the following are available when loading the rocm/5.0.2
module.
Name | Description |
---|---|
rocFFT | Fast Furier Transform. Documentation pages (external site). |
rocBLAS | rocBLAS is the AMD library for Basic Linear Algebra Subprograms (BLAS) on the ROCm platform. Documentation pages (external site). |
rocSOLVER | rocSOLVER is a work-in-progress implementation of a subset of LAPACK functionality on the ROCm platform. Documentation pages (external site). |
Table 2. Popular GPU numerical libraries.
Each of the above libraries has an equivalent HIP wrapper that enables compilation on both ROCm and NVIDIA platforms.
A complete list of available libraries can be found on this page (external site).
AMD ROCm installations
The main ROCm installation is rocm/5.0.2
provided by HPE Cray. In addition Pawsey staff installed rocm/5.4.3
from source using ROCm-from-source. It is an experimental installation and users might encounter compilation or linking errors. You are encouraged to explore it during development and to report any issues. For production jobs, however, we currently recommend sticking to rocm/5.0.2
.
Submitting Jobs
You can submit GPU jobs to the gpu
and gpu-highmem
Slurm partitions.
Note that you will need to use a different project code for the --account
/-A option. More specifically, it is your project code followed by the -gpu
suffix. For instance, if your project code is project1234
, then you will have to use project1234-gpu
.
GPUs must be explicitly requested to Slurm using the --gres=gpu:<num_gpus>
, --gpus-per-task=<num_gpus>
or --gpu-per-node=<num_gpus>
options.
Compiling software
If you are using ROCm libraries, such as rocFFT, to offload computations to GPUs, you should be able to use any compiler to link those to your code.
For HIP code as well as one making use of OpenMP offloading, you must use hipcc
. Take a look at Programming AMD GPUs.
There is no OpenACC support currently available.
Accounting
Each MI250X GCD, which corresponds to a Slurm GPU, is charged 64SU per hour. This means the use of an entire GPU node is charged 512SU per hour. In general, a job is charged the largest proportion of core, memory, or GPU usage rounded up to 1/8ths of a node (corresponding to an individual MI250X GCD).
Programming AMD GPUs
You can program AMD MI250X GPUs using HIP, which is the programming framework equivalent to the one of NVIDIA, CUDA. The HIP platform is available after having loaded the rocm
module.
Links to recorded training sessions will be added here.
The complete AMD documentation on how to program with HIP can be found here (external site).
Uptake Projects
Uptake projects are collaborations between researchers and Pawsey staff to optimize scientific code for Setonix and advance research, faster. Contact the helpdesk for more information: help@pawsey.org.au.