hello-world-mpi-container.def

# hello-world-mpi-container.def

Bootstrap: docker
From: ubuntu:20.04

%post
    # Install required packages
    apt-get update
    apt-get install -y wget build-essential libopenmpi-dev

    # Download and install Miniconda
    wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
    bash Miniconda3-latest-Linux-x86_64.sh -b -p /opt/conda
    rm Miniconda3-latest-Linux-x86_64.sh

    # Set up Conda environment
    /opt/conda/bin/conda init
    /opt/conda/bin/conda create -y -n mpi_env
    /opt/conda/bin/conda activate mpi_env
    /opt/conda/bin/conda install -y -c conda-forge openmpi

    # Compile Hello World MPI program
    mkdir /opt/hello-world
    echo '#include <mpi.h>
#include <stdio.h>

int main(int argc, char** argv) {
    int world_size, world_rank, name_len;
    char hostname[MPI_MAX_PROCESSOR_NAME];

    MPI_Init(&argc, &argv);
    MPI_Comm_size(MPI_COMM_WORLD, &world_size);
    MPI_Comm_rank(MPI_COMM_WORLD, &world_rank);
    MPI_Get_processor_name(hostname, &name_len);

    printf("Hello world from processor %s, rank %d out of %d processors\n", hostname, world_rank, world_size);

    MPI_Finalize();
    return 0;
}' > /opt/hello-world/hello.c

    mpicc /opt/hello-world/hello.c -o /opt/hello-world/hello

%environment
    export PATH=/opt/conda/bin:$PATH
    source /opt/conda/etc/profile.d/conda.sh
    conda activate mpi_env

%runscript
    /opt/conda/bin/mpirun /opt/hello-world/hello