CUDA (Compute Unified Device Architecture) is an interface to program Nvidia GPUs. It offers support to the languages such as C, C++, and Fortran.

To build and execute code on the GPU A100 cluster, please login to

a GPU A100 login node, like bgnlogin.nhr.zib.de.
see also Quickstart

Code build

For code generation we recommend the software package NVIDIA hpcx which is a combination of compiler and powerful libraries, like e.g. CUDA, blas, and MPI.

CUDA

bgnlogin1 $ module load nvhpc-hpcx/23.1
bgnlogin1 $ module list
Currently Loaded Modulefiles: ... 4) hpcx   5) nvhpc-hpcx/23.1
bgnlogin1 $ nvc -cuda -gpu=cc8.0 -o cuda.bin cuda.c

CUDA offers a blas library for the GPU
and it can be used in combination with MPI.

CUDA with cublas

bgnlogin1 $ module load nvhpc-hpcx/23.1
bgnlogin1 $ module list
Currently Loaded Modulefiles: ... 4) hpcx   5) nvhpc-hpcx/23.1
bgnlogin1 $ nvc -cuda -gpu=cc8.0 -o cuda_cublas.bin cuda_cublas.c
bgnlogin1 $ nvc -cuda -gpu=cc8.0 -cudalib=cublas -o cuda_cublas.bin cuda_cublas.c
bgnlogin1 $ mpicc -cuda -gpu=cc8.0 -cudalib=cublas -o cuda_cublas_mpi.bin cuda_cublas_mpi.c

Code execution

All available slurm partitions for the A100 GPU partition you can see on Slurm partitions GPU A100.

Job script for plain OpenMP

#!/bin/bash
#SBATCH --partition=gpu-a100
#SBATCH --gres=gpu:4
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=72

./openmp_gpu.bin

Job script for MPI + OpenMP

#!/bin/bash
#SBATCH --partition=gpu-a100
#SBATCH --gres=gpu:4
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=72

module load nvhpc-hpcx/23.1
mpirun --np 8 --map-by ppr:2:socket:pe=1 ./mpi_openmp_gpu.bin