Intel® MPI Library Developer Guide for Linux* OS

ID 768728
Date 10/31/2024
Public
Document Table of Contents

Run the Application with a Container

You can choose from three usage models for running your application using a Singularity* container:

  1. Everything packed into a single container
  2. The Intel MPI Library installed both inside and outside the container
  3. The Intel MPI Library outside the container

Usage model 1: Everything packed into a single container

This approach presumes that the Intel® MPI library, target application, and all its dependencies are packed into a container.

Recipe file

BootStrap: yum
OSVersion: 8
MirrorURL: http://linux-ftp.jf.intel.com/pub/mirrors/centos/8/BaseOS/$basearch/os/
Include: yum
%environment
source /opt/intel/oneapi/mpi/latest/env/vars.sh
%post
export http_proxy=http://***
yum repolist
yum install -y yum-utils
tee > /tmp/oneAPI.repo << EOF
[oneAPI]
name=Intel(R) oneAPI repository
baseurl=https://yum.repos.intel.com/oneapi
enabled=1
gpgcheck=1
repo_gpgcheck=1
gpgkey=https://yum.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
EOF
mv /tmp/oneAPI.repo /etc/yum.repos.d
yum install -y intel-oneapi-mpi*
yum install -y sudo wget vi which numactl bzip2 tar gcc hostname util-linux redhat-lsb openssh-server openssh-clients

Launch

When recipe is created, execute the following command:

$ singularity exec <container-name> mpirun -n <number-of-processes> -ppn <processes-per-node> -hostlist <hosts> <application>

Usage model 2: The Intel MPI Library installed both inside and outside the container

In this approach, additional dependency on hosts (for example, external mpirun) is required. Each rank is a separate Singularity container instance execution.

Recipe file

BootStrap: yum
OSVersion: 8
MirrorURL: http://linux-ftp.jf.intel.com/pub/mirrors/centos/8/BaseOS/$basearch/os/
Include: yum
%environment
source /opt/intel/oneapi/mpi/latest/env/vars.sh
%post
export http_proxy=http://***
yum repolist
yum install -y yum-utils
tee > /tmp/oneAPI.repo << EOF
[oneAPI]
name=Intel(R) oneAPI repository
baseurl=https://yum.repos.intel.com/oneapi
enabled=1
gpgcheck=1
repo_gpgcheck=1
gpgkey=https://yum.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
EOF
mv /tmp/oneAPI.repo /etc/yum.repos.d
yum install -y intel-oneapi-mpi*
yum install -y sudo wget vi which numactl bzip2 tar gcc hostname util-linux redhat-lsb

Launch

When recipe is created, execute the following command:

$ mpirun  -n <number-of-processes> -ppn <processes-per-node> -hostlist <hosts> singularity exec <container-name> <application>

Usage model 3: The Intel MPI Library outside the container

In this approach, additional dependency on hosts (for example, external mpirun) is required. Each host has a single Singularity container instance executed for all ranks.

Recipe file

BootStrap: yum
OSVersion: 8
MirrorURL: http://linux-ftp.jf.intel.com/pub/mirrors/centos/8/BaseOS/$basearch/os/
Include: yum
%environment
source /opt/intel/oneapi/mpi/latest/env/vars.sh
%post
export http_proxy=http://***
yum repolist
yum install -y yum-utils
tee > /tmp/oneAPI.repo << EOF
[oneAPI]
name=Intel(R) oneAPI repository
baseurl=https://yum.repos.intel.com/oneapi
enabled=1
gpgcheck=1
repo_gpgcheck=1
gpgkey=https://yum.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
EOF
mv /tmp/oneAPI.repo /etc/yum.repos.d
yum install -y intel-oneapi-mpi*
yum install -y sudo wget vi which numactl bzip2 tar gcc hostname util-linux redhat-lsb openssh-server openssh-clients

Launch

When recipe is created, execute the following command:

$ singularity shell --bind  <path-to-mpi-installation-on-hosts:/mnt> mpirun -n <number-of-processes> -ppn <processes-per-node> -hostlist <hosts> <application>