Translations:AMBER/48/en

QM/MM distributed multi-GPU job

The example below requests eight GPUs. {{File

 |name=quick_MPI_job.sh
 |lang="bash"
 |contents=

1. !/bin/bash
2. SBATCH --ntasks=8 --cpus-per-task=1
3. SBATCH --gpus-per-task=1
4. SBATCH --mem-per-cpu=4000
5. SBATCH --time=02:00:00

Message Passing Interface