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hpc-toolchains

Build, review, debug, and stabilize HPC compiler and build-toolchain workflows. Use when choosing compiler families such as GCC, Clang, or oneAPI; configuring CMake, `find_package`, or toolchain files; aligning BLAS or LAPACK or MPI stacks; using environment modules or Spack; or repairing ABI, link, and build-system failures.

personAuthor: TashanworldhubOpenAPI
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HPC Toolchains

Treat the toolchain as a coherent stack. Pick the compiler family, MPI family, math libraries, and build system together before tuning application-specific flags.

Start

  1. Read references/compiler-family-selection.md before choosing GCC, Clang, or vendor compilers.
  2. Read references/configure-and-build-matrix.md when deciding between CMake, Make, Ninja, or wrapper-driven builds.
  3. Read references/cmake-and-find-package-playbook.md when writing or repairing CMakeLists.txt, find_package, imported targets, or cache variables.
  4. Read references/toolchain-files-and-presets.md when the build depends on reusable compiler, MPI, or site configuration.
  5. Read references/build-type-and-abi-hygiene.md when debugging release versus debug mismatches, C++ standard mismatches, symbol issues, or ABI drift.
  6. Read references/blas-lapack-mpi-consistency.md when linking against BLAS, LAPACK, ScaLAPACK, MPI, or vendor math stacks.
  7. Read references/modules-and-spack-playbook.md when using environment modules, compiler wrappers, external packages, or Spack environments.
  8. Read references/error-recovery.md when configure, compile, link, or runtime-loader failures occur.

Work sequence

  1. Decide the stack boundary first:
    • site-provided modules
    • Spack environment
    • container image
    • user-local source build
  2. Pick one compiler family and keep the full dependency graph aligned to it.
  3. Decide how dependencies are discovered:
    • wrapper compilers
    • find_package
    • pkg-config
    • explicit include and library paths only as a last resort
  4. Keep build directories, cache state, and install prefixes separated by toolchain.
  5. Record the exact configure command before tuning warning or optimization flags.

Guardrails

  • Do not mix compiler and MPI families casually across one build tree.
  • Do not patch over a bad discovery path with many ad hoc include and library flags.
  • Do not treat ABI, C++ standard, and release or debug mode as cosmetic metadata.
  • Do not let one dependency come from a different module stack unless the site explicitly supports that mix.

Additional References

Load these on demand:

  • references/cmake-and-find-package-playbook.md for imported-target and cache-variable discipline
  • references/toolchain-files-and-presets.md for reusable site or cluster build configuration
  • references/build-type-and-abi-hygiene.md for symbol, ABI, and optimization mismatches
  • references/blas-lapack-mpi-consistency.md for math-library and MPI stack alignment
  • references/modules-and-spack-playbook.md for module and Spack-based reproducibility
  • references/error-pattern-dictionary.md for fast matching of common toolchain failure classes

Reusable Templates

Use assets/templates/ when a concrete starting point is faster than rebuilding the build stack from scratch, especially:

  • minimal-cmake-project/CMakeLists.txt
  • minimal-cmake-project/main.cpp
  • configure-gcc-openmpi.sh
  • build-smoke-slurm.sh
  • spack-env-minimal.yaml

Outputs

Summarize:

  • chosen compiler and MPI family
  • dependency-discovery method
  • build-system strategy
  • math-library and ABI alignment decisions
  • the exact failure phase if the workflow is being repaired