Launching a Singularity container with MPI

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Theta
Updated: 12/01/2020
#!/bin/bash 
SINGULARITYBIN=$(which singularity) 
CONTAINER=${HOME}/singularity_images/hpl-mofed5-cuda11runtime_verbs.sif 
OMPI_MCA_orte_launch_agent=$(cat <<EOF 
$SINGULARITYBIN run --nv $CONTAINER orted 
EOF 
) 
export SINGULARITYENV_OMPI_MCA_orte_launch_agent=${OMPI_MCA_orte_launch_agent} 
$SINGULARITYBIN run --nv --cleanenv \ 
     $CONTAINER \ 
     mpirun \ 
        -H thetagpu01:1,thetagpu02:1 \ 
        -n 2 \ 
        --mca plm_rsh_args "-p22" \ 
        hostname
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