diff --git a/stacks/pinot-noir/config.json b/stacks/pinot-noir/config.json index c18d65846e23540d68bcb92b8d3bce0dd5eb337b..30c1e4cd110330d9a71893fdeda6c7ba008d0d48 100644 --- a/stacks/pinot-noir/config.json +++ b/stacks/pinot-noir/config.json @@ -76,6 +76,12 @@ "compiler": "gcc", "spec": "gcc@13.2.0 %gcc@11.2.1", "version": "13.2.0" + }, + "nvhpc": { + "compiler": "nvhpc", + "spec": "nvhpc+mpi+lapack+blas@24.3 %gcc@11.2.1", + "version": "24.3", + "constraint": "env['environment'] in ['kuma-h100', 'kuma-l40s', 'izar']" } }, "system_packages": [ @@ -116,6 +122,7 @@ "libpng", "libsigsegv", "libssh2", + "libszip", "libtiff", "libtool", "libunistring", @@ -137,6 +144,7 @@ "perl", "pigz", "pkgconf", + "pkg-conf", "pmix", "rdma-core", "readline", @@ -151,6 +159,7 @@ "xpmem", "xxd-standalon", "xz", + "zlib", "zlib-ng", "zstd" ] diff --git a/stacks/pinot-noir/packages_acc_cuda.yaml b/stacks/pinot-noir/packages_acc_cuda.yaml index 4d632b9dc98897a1778db0af3e7bd715737e4eed..fcff7ec4eef7fbb48dcb3a5ec2497b02124468ef 100644 --- a/stacks/pinot-noir/packages_acc_cuda.yaml +++ b/stacks/pinot-noir/packages_acc_cuda.yaml @@ -9,6 +9,9 @@ packages: - spec: '+cuda' when: '%gcc' + - spec: '+cuda' + when: '%nvhpc' + # --------------------------------------------------------------------------- cuda: prefer: diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml index cc7f0d9ec5782f741b30617d0e389f6a6ea7e99d..e7ae64c5db5f5ad976e8284e1405fc43836b8c75 100644 --- a/stacks/pinot-noir/packages_stack.yaml +++ b/stacks/pinot-noir/packages_stack.yaml @@ -186,6 +186,9 @@ packages: netcdf-c: prefer: ['+mpi'] + nvhpc: + require: ['%gcc@11.2.1'] + openblas: require: ['build_system=makefile'] prefer: ['threads=openmp', 'symbol_suffix=none', '~ilp64'] diff --git a/stacks/pinot-noir/spack.yaml b/stacks/pinot-noir/spack.yaml index 2578d7464d4c97b9782fc1836705151c93c4330f..2e60d51edd451583f16a3314dca18728c2049bd9 100644 --- a/stacks/pinot-noir/spack.yaml +++ b/stacks/pinot-noir/spack.yaml @@ -24,18 +24,27 @@ spack: - mpi_oneapi: - intel-oneapi-mpi@2021.12.1 + - mpi_nvhpc: + - "[virtuals=mpi] nvhpc+mpi+blas+lapack" + - blas_gcc: - openblas@0.3.27 - blas_oneapi: - intel-oneapi-mkl@2024.1.0 + - blas_nvhpc: + - "[virtuals=blas,lapack] nvhpc+mpi+blas+lapack" + - python_gcc: - python@3.11.7 - python_oneapi: - python@3.11.7 + - python_nvhpc: + - python@3.11.7 %gcc@11.2.1 + # ------------------------------------------------------------------------- # Core packages # ------------------------------------------------------------------------- @@ -101,7 +110,6 @@ spack: - netcdf-c ~~mpi - netcdf-fortran ^netcdf-c ~~mpi - nfft ^fftw~~mpi~~openmp - - python - scotch ~~mpi - star - subread @@ -118,6 +126,7 @@ spack: - libxc - qperf - ncview ^netcdf-c ~~mpi ~parallel-netcdf + - python - sox - stacks - xgboost @@ -434,6 +443,24 @@ spack: - [$^mpi_gcc] - [$%compiler_gcc] + # -------------------------------------------------------------------------- + - matrix: + - [$serial_codes] + - [$%compiler_nvhpc] + + - matrix: + - [$mpi_blas_codes] + - [$^blas_nvhpc] + - [$^mpi_nvhpc] + - [$%compiler_nvhpc] + + - matrix: + - [$mpi_blas_python_codes] + - [$^python_nvhpc] + - [$^blas_nvhpc] + - [$^mpi_nvhpc] + - [$%compiler_nvhpc] + # -------------------------------------------------------------------------- - matrix: - [$serial_codes]