Usage
NoteΒΆ
- Parallel Auto3dem is an MPI application. To submit successful jobs make sure to specify a valid MPI SLURM job layout in the job script and to match the requested CPU cores to the number passed to auto3dem. For example:
#SBATCH --nodes=1
#SBATCH --ntasks=4
#SBATCH --cpus-per-task=1
#SBATCH --memory-per-cpu=1gb
can be matched with the default setup_rmc configuration, which requests '-ncpu 4' for auto3dem e.g.
setup_rmc -nmodels 10 -nimages 100 -ncpu 4
./RMC_run