Stackinator 0.1

Stackinator is a tool for building a scientific software stack from a recipe for vClusters on CSCS' Alps infrastructure

Stackinator

A tool for building a scientific software stack from a recipe for vClusters on CSCS' Alps infrastructure.

Bootstrapping

Use the bootstrap.sh script to install the necessary dependencies. The dependencies are going to be installed under the external directory on the root directory of the project.

Basic usage

The tool generates the make files and spack configurations that build the spack environments that are packaged together in the spack stack. It can be thought of as equivalent to calling cmake or configure, before running make to run the configured build.

# configure the build
./bin/stack-config -b$BUILD_PATH -r$RECIPE_PATH

# build the spack stack
cd $BUILD_PATH
env --ignore-environment PATH=/usr/bin:/bin:`pwd`/spack/bin make modules store.squashfs -j64

# mount the stack
squashfs-run store.squashfs bash

• -b, --build: the path where the build stage
• -r, --recipe: the path with the recipe yaml files that describe the environment.
• -d, --debug: print detailed python error messages.

Recipes

A recipe is the input provided to the tool. A recipe is comprised of the following yaml files in a directory:

• config.yaml: common configuration for the stack.
• compilers.yaml: the compilers provided by the stack.
• environments.yaml: environments that contain all the software packages.
• modules.yaml: optional module generation rules
  • follows the spec for (spack mirror configuration)[https://spack.readthedocs.io/en/latest/mirrors.html]
• packages.yaml: optional package rules.
  • follows the spec for (spack package configuration)[https://spack.readthedocs.io/en/latest/build_settings.html]

config

name: nvgpu-basic
store: /user-environment
system: hohgant
spack:
    repo: https://github.com/spack/spack.git
    commit: 6408b51
modules: True

• name: a plain text name for the environment
• store: the location where the environment will be mounted.
• system: the name of the vCluster on which the stack will be deployed.
  • one of balfrin or hohgant.
  • cluster-specific details such as the version and location of libfabric are used when configuring and building the stack.
• spack: which spack repository to use for installation.
• mirrors: optional configure use of build caches, see build cache documentation.
• modules: optional enable/diasble module file generation (default True).

compilers

Take an example configuration:

bootstrap:
  spec: gcc@11
gcc:
  specs:
  - gcc@11
llvm:
  requires: gcc@11
  specs:
  - nvhpc@21.7
  - llvm@14

The compilers are built in multiple stages:

1. bootstrap: A bootstrap gcc compiler is built using the system compiler (currently gcc 4.7.5).
   • gcc:specs: single spec of the form gcc@version.
   • The selected version should have full support for the target architecture in order to build optimised gcc toolchains in step 2.
2. gcc: The bootstrap compiler is then used to build the gcc version(s) provided by the stack.
   • gcc:specs: A list of at least one of the specs of the form gcc@version.
3. llvm: (optional) The nvhpc and/or llvm toolchains are build using one of the gcc toolchains installed in step 2.
   • llvm:specs: a list of specs of the form nvhpc@version or llvm@version.
   • llvm:requires: the version of gcc from step 2 that is used to build the llvm compilers.

The first two steps are required, so that the simplest stack will provide at least one version of gcc compiled for the target architecture.

Note

Don't provide full specs, because the tool will insert "opinionated" specs for the target node type, for example:

• nvhpc@21.7 generates nvhpc@21.7 ~mpi~blas~lapack
• llvm@14 generates llvm@14 +clang targets=x86 ~gold ^ninja@kitware
• gcc@11 generates gcc@11 build_type=Release +profiled +strip

environments

The software packages are configured as disjoint environments, each built with the same compiler, and configured with a single implementation of MPI.

example: a cpu-only gnu toolchain with MPI

# environments.yaml
gcc-host:
  compiler:
      - toolchain: gcc
        spec: gcc@11.3
  unify: true
  specs:
  - hdf5 +mpi
  - fftw +mpi
  mpi:
    spec: cray-mpich
    gpu: false

An environment labelled gcc-host is built using gcc@11.3 from the gcc compiler toolchain (note the compiler spec must mach a compiler from the toolchain that was installed via the compilers.yaml file). The tool will generate a spack.yaml specification:

# spack.yaml
spack:
  include:
  - compilers.yaml
  - config.yaml
  view: false
  concretizer:
    unify: True
  specs:
  - fftw +mpi
  - hdf5 +mpi
  - cray-mpich
  packages:
    all:
      compiler: [gcc@11.3]
    mpi:
      require: cray-mpich

Note

The cray-mpich spec is added to the list of package specs automatically. By setting environments.ENV.mpi all packages in the environment ENV that use the virtual dependency +mpi will use the same cray-mpich implementation.

example: a gnu toolchain with MPI and NVIDIA GPU support

# environments.yaml
gcc-nvgpu:
  compiler:
      - toolchain: gcc
        spec: gcc@11.3
  unify: true
  specs:
  - cuda@11.8
  - fftw +mpi
  - hdf5 +mpi
  mpi:
    spec: cray-mpich
    gpu: cuda

The environments:gcc-nvgpu:gpu to cuda will build the cray-mpich with support for GPU-direct.

# spack.yaml
spack:
  include:
  - compilers.yaml
  - config.yaml
  view: false
  concretizer:
    unify: True
  specs:
  - cuda@11.8
  - fftw +mpi
  - hdf5 +mpi
  - cray-mpich +cuda
  packages:
    all:
      compiler: [gcc@11.3]
    mpi:
      require: cray-mpich

example: a nvhpc toolchain with MPI

To build a toolchain with NVIDIA HPC SDK, we provide two compiler toolchains:

• The llvm:nvhpc compiler;
• A version of gcc from the gcc toolchain, in order to build dependencies (like CMake) that can't be built with nvhpc. If a second compiler is not provided, Spack will fall back to the system gcc 4.7.5, and not generate zen2/zen3 optimized code as a result.

# environments.yaml
prgenv-nvidia:
  compiler:
      - toolchain: llvm
        spec: nvhpc
      - toolchain: gcc
        spec: gcc@11.3
  unify: true
  specs:
  - cuda@11.8
  - fftw%nvhpc +mpi
  - hdf5%nvhpc +mpi
  mpi:
    spec: cray-mpich
    gpu: cuda

The following spack.yaml is generated:

# spack.yaml
spack:
  include:
  - compilers.yaml
  - config.yaml
  view: false
  concretizer:
    unify: True
  specs:
  - cuda@11.8
  - fftw%nvhpc +mpi
  - hdf5%nvhpc +mpi
  - cray-mpich +cuda
  packages:
    all:
      compiler: [nvhpc, gcc@11.3]
    mpi:
      require: cray-mpich

example: a gnu toolchain that provides some common tools

# environments.yaml
tools:
  compiler:
      toolchain: gcc
      spec: gcc@11.3
  unify: true
  specs:
  - cmake
  - python@3.10
  - tmux
  - reframe
  mpi: false
  gpu: false

# spack.yaml
spack:
  include:
  - compilers.yaml
  - config.yaml
  view: false
  concretizer:
    unify: True
  specs:
  - cmake
  - python@3.10
  - tmux
  - reframe
  packages:
    all:
      compiler: [gcc@11.3]

modules

Modules are generated for the installed compilers and packages by spack. The default module generation rules set by the version of spack specified in config.yaml will be used if no modules.yaml file is provided.

To set rules for module generation, provide a module.yaml file as per the spack documentation.

To disable module generation, set the field config:modules:False in config.yaml.

packages

A spack packages.yaml file is provided by the tool for each target cluster. This file sets system dependencies, such as libfabric and slurm, which are expected to be provided by the cluster and not built by Spack. A recipe can provide a packages.yaml file, which is merged with the cluster-specific packages.yaml.

For example, to enforce every compiler and environment built use the versions of perl and git installed on the system, add a file like the following (with appropriate version numbers and prefixes, of course):

# packages.yaml
packages:
  perl:
    buildable: false
    externals:
    - spec: perl@5.36.0
      prefix: /usr
  git:
    buildable: false
    externals:
    - spec: git@2.39.1
      prefix: /usr