diff options
5 files changed, 73 insertions, 38 deletions
diff --git a/share/spack/gitlab/cloud_pipelines/scripts/pcluster/setup-pcluster.sh b/share/spack/gitlab/cloud_pipelines/scripts/pcluster/setup-pcluster.sh index dfd5af1b43..484be10f06 100755 --- a/share/spack/gitlab/cloud_pipelines/scripts/pcluster/setup-pcluster.sh +++ b/share/spack/gitlab/cloud_pipelines/scripts/pcluster/setup-pcluster.sh @@ -10,6 +10,7 @@ set -e # The best solution would be to have the compilers hash (or packages contents) be part of the # individual packages hashes. I don't see this at the moment. # Set to the latest tag including a recent oneapi compiler. +# NOTE: If we update this spack version in the future make sure the compiler version also updates. spack_intel_compiler_commit="develop-2023-08-06" set_pcluster_defaults() { @@ -23,10 +24,9 @@ set_pcluster_defaults() { setup_spack() { spack compiler add --scope site - spack external find --scope site - # Remove all autotools/buildtools packages. These versions need to be managed by spack or it will + # Do not add autotools/buildtools packages. These versions need to be managed by spack or it will # eventually end up in a version mismatch (e.g. when compiling gmp). - spack tags build-tools | xargs -I {} spack config --scope site rm packages:{} + spack external find --scope site --tag core-packages } patch_compilers_yaml() { @@ -99,7 +99,7 @@ install_compilers() { # The compilers needs to be in the same install tree as the rest of the software such that the path # relocation works correctly. This holds the danger that this part will fail when the current spack gets # incompatible with the one in $spack_intel_compiler_commit. Therefore, we make intel installations optional - # in package.yaml files. + # in package.yaml files and add a fallback `%gcc` version for each application. if [ "x86_64" == "$(arch)" ]; then ( CURRENT_SPACK_ROOT=${SPACK_ROOT} diff --git a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/packages.yaml b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/packages.yaml index dcb7eb80df..d896216fdf 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/packages.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/packages.yaml @@ -19,7 +19,10 @@ packages: llvm: variants: ~lldb mpas-model: - require: "precision=single make_target=llvm %arm ^parallelio+pnetcdf" + require: + - one_of: + - "precision=single make_target=llvm %arm ^parallelio+pnetcdf" + - "precision=single %gcc ^parallelio+pnetcdf" mpich: require: "mpich pmi=pmi2 device=ch4 netmod=ofi +slurm" nvhpc: diff --git a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/spack.yaml index 5e50716b26..2100189549 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/spack.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-neoverse_v1/spack.yaml @@ -2,13 +2,23 @@ spack: view: false definitions: - - optimized_configs: - - gromacs target=neoverse_v1 - - gromacs target=neoverse_n1 + - apps: + - gromacs + # - mpas-model: Spack currently forces REAL(8) when using GCC. This conflicts with `precision=single` + # Fix proposed in https://github.com/spack/spack/pull/43547 + - openfoam + # - quantum-espresso : %gcc@12.3.0 on neoverse_v1 fails. + # Root cause: internal compiler error: in compute_live_loop_exits, at tree-ssa-loop-manip.cc:247 + - wrf - specs: - - $optimized_configs + - targets: + - 'target=neoverse_v1' + - 'target=neoverse_n1' + specs: + - matrix: + - [$apps] + - [$targets] ci: pipeline-gen: - build-job: diff --git a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml index 2684b27f4a..ca8cf09ef6 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml @@ -5,13 +5,20 @@ packages: - one_of: - "cflags=-std=c18 target=x86_64_v4" - "cflags=-std=c18 target=x86_64_v3" - - "%gcc" + when: "%intel" + gettext: + # Newer gettext cannot build with gcc@12 and old AL2 glibc headers + # Older gettext versions do not build correctly with oneapi. + require: + - one_of: + - '@:0.20' + - '%oneapi' gromacs: require: - one_of: - - "+intel_provided_gcc %intel ^intel-oneapi-mkl target=x86_64_v4" - - "+intel_provided_gcc %intel ^intel-oneapi-mkl target=x86_64_v3" - - "%gcc" + - "+intel_provided_gcc ^intel-oneapi-mkl target=x86_64_v4" + - "+intel_provided_gcc ^intel-oneapi-mkl target=x86_64_v3" + when: "%intel" intel-mpi: variants: +external-libfabric intel-oneapi-compilers: @@ -21,15 +28,15 @@ packages: lammps: require: - one_of: - - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel %intel ^intel-oneapi-mkl target=x86_64_v4" - - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package %intel ^intel-oneapi-mkl target=x86_64_v3" - - "%gcc" + - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel ^intel-oneapi-mkl target=x86_64_v4" + - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package ^intel-oneapi-mkl target=x86_64_v3" + when: "%intel" libidn2: require: - one_of: - "cflags=-std=c18 target=x86_64_v4" - "cflags=-std=c18 target=x86_64_v3" - - '%gcc' + when: "%intel" libfabric: buildable: true externals: @@ -41,13 +48,13 @@ packages: - one_of: - "cflags=-std=c18 target=x86_64_v4" - "cflags=-std=c18 target=x86_64_v3" - - "%gcc" + when: "%intel" mpas-model: require: - one_of: - - "precision=single %intel ^parallelio+pnetcdf target=x86_64_v4" - - "precision=single %intel ^parallelio+pnetcdf target=x86_64_v3" - - "%gcc" + - "precision=single ^parallelio+pnetcdf target=x86_64_v4" + - "precision=single ^parallelio+pnetcdf target=x86_64_v3" + when: "%intel" mpich: require: - one_of: @@ -67,9 +74,12 @@ packages: palace: require: - one_of: - - "palace %oneapi ^fmt@9.1.0 target=x86_64_v4" - - "palace %oneapi ^fmt@9.1.0 target=x86_64_v3" - - "%gcc ^fmt@9.1.0" + - "palace ^fmt@9.1.0 target=x86_64_v4" + - "palace ^fmt@9.1.0 target=x86_64_v3" + when: "%oneapi" + - one_of: + - "palace ^fmt@9.1.0" + when: "%gcc" pmix: require: - one_of: @@ -78,9 +88,9 @@ packages: quantum-espresso: require: - one_of: - - "quantum-espresso@6.6 %intel ^intel-oneapi-mkl+cluster target=x86_64_v4" - - "quantum-espresso@6.6 %intel ^intel-oneapi-mkl+cluster target=x86_64_v3" - - "%gcc" + - "quantum-espresso@6.6 ^intel-oneapi-mkl+cluster target=x86_64_v4" + - "quantum-espresso@6.6 ^intel-oneapi-mkl+cluster target=x86_64_v3" + when: "%intel" slurm: buildable: false externals: @@ -89,12 +99,13 @@ packages: wrf: require: - one_of: - - "wrf@4 build_type=dm+sm %intel target=x86_64_v4" - - "wrf@4 build_type=dm+sm %intel target=x86_64_v3" - - "wrf@4.2.2 +netcdf_classic fflags=\"-fp-model fast=2 -no-heap-arrays -no-prec-div -no-prec-sqrt -fno-common\" build_type=dm+sm %intel target=x86_64_v3" - - "%gcc" + - "wrf@4 build_type=dm+sm target=x86_64_v4" + - "wrf@4 build_type=dm+sm target=x86_64_v3" + - "wrf@4.2.2 +netcdf_classic fflags=\"-fp-model fast=2 -no-heap-arrays -no-prec-div -no-prec-sqrt -fno-common\" build_type=dm+sm target=x86_64_v3" + when: "%intel" + all: - compiler: [intel, gcc] + compiler: [intel, oneapi, gcc] permissions: read: world write: user diff --git a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/spack.yaml index 35d099f014..52e88506c0 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/spack.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/spack.yaml @@ -2,14 +2,24 @@ spack: view: false definitions: + - apps: + - gromacs %intel + - lammps %intel + - mpas-model %intel + - openfoam %gcc + - palace %oneapi + - quantum-espresso %intel + # - wrf : While building hdf5 cmake errors out with Detecting Fortran/C Interface: Failed to compile + # Root cause: ifort cannot deal with arbitrarily long file names. - - optimized_configs: - - palace target=x86_64_v4 - - palace target=x86_64_v3 + - targets: + - 'target=x86_64_v4' + - 'target=x86_64_v3' specs: - - $optimized_configs - + - matrix: + - [$apps] + - [$targets] ci: pipeline-gen: - build-job: @@ -28,5 +38,6 @@ spack: # Do not distribute Intel & ARM binaries - - for i in $(aws s3 ls --recursive ${SPACK_REMOTE_MIRROR_OVERRIDE}/build_cache/ | grep intel-oneapi | awk '{print $4}' | sed -e 's?^.*build_cache/??g'); do aws s3 rm ${SPACK_REMOTE_MIRROR_OVERRIDE}/build_cache/$i; done - for i in $(aws s3 ls --recursive ${SPACK_REMOTE_MIRROR_OVERRIDE}/build_cache/ | grep armpl | awk '{print $4}' | sed -e 's?^.*build_cache/??g'); do aws s3 rm ${SPACK_REMOTE_MIRROR_OVERRIDE}/build_cache/$i; done + cdash: build-group: AWS Packages |