IntelOneapi

oneAPI packages in Spack

Spack can install and use the Intel oneAPI products. You may either use spack to install the oneAPI tools or use the Intel installers. After installation, you may use the tools directly, or use Spack to build packages with the tools.

The Spack Python class IntelOneapiPackage is a base class that is used by IntelOneapiCompilers, IntelOneapiMkl, IntelOneapiTbb and other classes to implement the oneAPI packages. Search for oneAPI at packages.spack.io for the full list of available oneAPI packages, or use:

spack list -d oneAPI

For more information on a specific package, do:

spack info --all <package-name>

Intel no longer releases new versions of Parallel Studio, which can be used in Spack via the Intel. All of its components can now be found in oneAPI.

Examples

Building a Package With icx

In this example, we build patchelf with icc and icx. The compilers are installed with spack.

Install the oneAPI compilers:

spack install intel-oneapi-compilers

Add the compilers to your compilers.yaml so spack can use them:

spack compiler add `spack location -i intel-oneapi-compilers`/compiler/latest/bin

Verify that the compilers are available:

spack compiler list

Note that 2024 and later releases do not include icc. Before 2024, the package layout was different:

spack compiler add `spack location -i intel-oneapi-compilers`/compiler/latest/linux/bin/intel64
spack compiler add `spack location -i intel-oneapi-compilers`/compiler/latest/linux/bin

The intel-oneapi-compilers package includes 2 families of compilers:

• intel: icc, icpc, ifort. Intel’s classic compilers. 2024 and later releases contain ifort, but not icc and icpc.

• oneapi: icx, icpx, ifx. Intel’s new generation of compilers based on LLVM.

To build the patchelf Spack package with icc, do:

spack install patchelf%intel

To build with with icx, do

spack install patchelf%oneapi

Using oneAPI Spack environment

In this example, we build lammps with icx using Spack environment for oneAPI packages created by Intel. The compilers are installed with Spack like in example above.

Install the oneAPI compilers:

spack install intel-oneapi-compilers

Add the compilers to your compilers.yaml so Spack can use them:

spack compiler add `spack location -i intel-oneapi-compilers`/compiler/latest/bin
spack compiler add `spack location -i intel-oneapi-compilers`/compiler/latest/bin

Verify that the compilers are available:

spack compiler list

Clone spack-configs repo and activate Intel oneAPI CPU environment:

git clone https://github.com/spack/spack-configs
spack env activate spack-configs/INTEL/CPU
spack concretize -f

Intel oneAPI CPU environment contains applications tested and validated by Intel, this list is constantly extended. And currently it supports:

• Devito

• GROMACS

• HPCG

• HPL

• LAMMPS

• OpenFOAM

• Quantum Espresso

• STREAM

• WRF

To build lammps with oneAPI compiler from this environment just run:

spack install lammps

Compiled binaries can be find using:

spack cd -i lammps

You can do the same for all other applications from this environment.

Using oneAPI MPI to Satisfy a Virtual Dependence

The hdf5 package works with any compatible MPI implementation. To build hdf5 with Intel oneAPI MPI do:

spack install hdf5 +mpi ^intel-oneapi-mpi

Using Externally Installed oneAPI Tools

Spack can also use oneAPI tools that are manually installed with Intel Installers. The procedures for configuring Spack to use external compilers and libraries are different.

Compilers

To use the compilers, add some information about the installation to compilers.yaml. For most users, it is sufficient to do:

spack compiler add /opt/intel/oneapi/compiler/latest/bin

Adapt the paths above if you did not install the tools in the default location. After adding the compilers, using them is the same as if you had installed the intel-oneapi-compilers package. Another option is to manually add the configuration to compilers.yaml as described in Compiler configuration.

Before 2024, the directory structure was different:

spack compiler add /opt/intel/oneapi/compiler/latest/linux/bin/intel64
spack compiler add /opt/intel/oneapi/compiler/latest/linux/bin

Libraries

If you want Spack to use oneMKL that you have installed without Spack in the default location, then add the following to ~/.spack/packages.yaml, adjusting the version as appropriate:

intel-oneapi-mkl:
  externals:
  - spec: intel-oneapi-mkl@2021.1.1
    prefix: /opt/intel/oneapi/

Using oneAPI Tools Installed by Spack

Spack can be a convenient way to install and configure compilers and libraries, even if you do not intend to build a Spack package. If you want to build a Makefile project using Spack-installed oneAPI compilers, then use spack to configure your environment:

spack load intel-oneapi-compilers

And then you can build with:

CXX=icpx make

You can also use Spack-installed libraries. For example:

spack load intel-oneapi-mkl

Will update your environment CPATH, LIBRARY_PATH, and other environment variables for building an application with oneMKL.

More information

This section describes basic use of oneAPI, especially if it has changed compared to Parallel Studio. See Intel for more information on Selecting libraries to satisfy virtual packages, Unrelated packages, Integrating external libraries, and Tips for configuring client packages to use MKL.