Add prgenv-gnu/24.11 (#159)

config.yaml

@@ -18,7 +18,8 @@ clusters:
         uarch: 'a100'
         partition: 'normal'
         variables:
-          F7T_URL: "https://api.cscs.ch/ml/firecrest/v1"
+          F7T_URL: 'https://api.cscs.ch/ml/firecrest/v1'
+          SLURM_ACCOUNT: ''
     runner: f7t
   daint:
     targets:
@@ -59,6 +60,7 @@ clusters:
         uarch: 'gh200'
         partition: 'normal'
         variables:
+          #SLURM_RESERVATION: 'icon'
           F7T_URL: "https://api.cscs.ch/hpc/firecrest/v1"
     runner: f7t
 uenvs:
@@ -219,15 +221,6 @@ uenvs:
       deploy:
         eiger: [zen2]
   prgenv-gnu:
-    "23.11":
-      recipes:
-        # zen2 and zen3 targets use the same recipe
-        zen2: 23.11/mc
-        zen3: 23.11/mc
-        a100: 23.11/a100
-      deploy:
-        # deploy to both the production and test clusters
-        eiger: [zen2]
     "24.2":
       recipes:
         gh200: 24.2/gh200
@@ -244,6 +237,19 @@ uenvs:
         daint: [gh200]
         eiger: [zen2]
         todi: [gh200]
+    "24.11":
+      recipes:
+        # zen2 and zen3 targets use the same recipe
+        zen2: 24.11/mc
+        zen3: 24.11/mc
+        gh200: 24.11/gh200
+        a100: 24.11/a100
+      deploy:
+        daint: [gh200]
+        eiger: [zen2]
+        todi: [gh200]
+        bristen: [a100]
+      develop: True
   quantumespresso:
     "v7.1":
       recipes:

docs/uenv-prgenv-gnu.md

@@ -7,6 +7,7 @@ It provides the GCC compilers (gcc, g++ and gfortran), MPI (cray-mpich), Python,
 The following packages are provided:
 
 * `aws-ofi-nccl`
+* `boost`
 * `cmake`
 * `cray-mpich`
     * built with `cuda` support on systems with NVIDIA GPUs
@@ -15,7 +16,11 @@ The following packages are provided:
 * `fftw`
 * `fmt`
 * `gcc`
+* `gsl`
 * `hdf5`
+* `kokkos`
+* `kokkos-kernels`
+* `kokkos-tools`
 * `libtree`
 * `meson`
 * `nccl-tests`
@@ -27,6 +32,25 @@ The following packages are provided:
 * `python`
     * a recent version of python 3
 
+## Changelog
+
+### 24.11
+
+- Added GSL
+- Added Boost with Chrono, Filesystem, Iostreams, MPI, Python, Regex, Serialization, System, Timer
+- Added Kokkos with the CUDA, OpenMP, and Serial execution spaces
+- Added Kokkos Kernels with explicit template instantiations and support for the most commonly used third party libraries
+- Added Kokkos Tools
+- Added PAPI
+- Added SuperLU
+- Added netlib-scalapack
+- Added Lua
+- Added lz4
+- Added zlib-ng
+- Added C++ and Fortran support to HDF5
+- Updated CUDA to 12.6
+- Changed aws-ofi-nccl to 1.9.2
+
 ## How to use
 
 The environment is designed as a fairly minimal set of 

recipes/prgenv-gnu/24.11/a100/compilers.yaml

@@ -0,0 +1,5 @@
+bootstrap:
+  spec: [email protected]
+gcc:
+  specs:
+  - gcc@13

recipes/prgenv-gnu/23.11/mc/config.yaml → recipes/prgenv-gnu/24.11/a100/config.yaml

@@ -1,6 +1,6 @@
 name: prgenv-gnu
 spack:
-  commit: releases/v0.20
+  commit: releases/v0.23
   repo: https://github.com/spack/spack.git
 store: /user-environment
 description: GNU Compiler toolchain with cray-mpich, Python, CMake and other development tools.

recipes/prgenv-gnu/24.11/a100/environments.yaml

@@ -0,0 +1,46 @@
+gcc-env:
+  compiler:
+      - toolchain: gcc
+        spec: gcc
+  mpi:
+      spec: [email protected]
+      gpu: cuda
+  unify: true
+  specs:
+  - boost +chrono +filesystem +iostreams +mpi +python +regex +serialization +shared +system +timer
+  - cmake
+  - fftw
+  - fmt
+  - gsl
+  - hdf5+cxx+hl+fortran
+  - kokkos +aggressive_vectorization ~alloc_async +cuda_constexpr +cuda_lambda ~cuda_relocatable_device_code ~cuda_uvm cxxstd=17 +openmp +pic +serial +shared +tuning +wrapper
+  - kokkos-kernels +blas +cublas +cusparse +cusolver +execspace_cuda +execspace_openmp +execspace_serial +lapack +memspace_cudaspace +openmp scalars=float,double,complex_float,complex_double +serial +shared +superlu
+  - kokkos-tools +mpi +papi
+  - netlib-scalapack
+  - lua
+  - libtree
+  - lz4
+  - meson
+  - ninja
+  - openblas threads=openmp
+  - [email protected]
+  - papi ~cuda
+  - [email protected]
+  - zlib-ng
+  # add GPU-specific packages here, for easier comparison with mc version
+  - nccl
+  - nccl-tests
+  - [email protected]
+  - aws-ofi-nccl
+  - superlu
+  variants:
+  - +mpi
+  - +cuda
+  - cuda_arch=80
+  views:
+    default:
+      link: roots
+      uenv:
+        add_compilers: true
+        prefix_paths:
+          LD_LIBRARY_PATH: [lib, lib64]

recipes/prgenv-gnu/23.11/a100/extra/reframe.yaml → recipes/prgenv-gnu/24.11/a100/extra/reframe.yaml

@@ -8,4 +8,4 @@ default:
   cc: mpicc
   cxx: mpic++
   ftn: mpifort
-  activation: /user-environment/env/default/activate.sh
+  activation: uenv view develop

recipes/prgenv-gnu/24.11/gh200/compilers.yaml

@@ -0,0 +1,5 @@
+bootstrap:
+  spec: [email protected]
+gcc:
+  specs:
+  - gcc@13

recipes/prgenv-gnu/23.11/a100/config.yaml → recipes/prgenv-gnu/24.11/gh200/config.yaml

@@ -1,6 +1,6 @@
 name: prgenv-gnu
 spack:
-  commit: releases/v0.20
+  commit: releases/v0.23
   repo: https://github.com/spack/spack.git
 store: /user-environment
 description: GNU Compiler toolchain with cray-mpich, Python, CMake and other development tools.

recipes/prgenv-gnu/24.11/gh200/environments.yaml

@@ -0,0 +1,46 @@
+gcc-env:
+  compiler:
+      - toolchain: gcc
+        spec: gcc
+  mpi:
+      spec: [email protected]
+      gpu: cuda
+  unify: true
+  specs:
+  - boost +chrono +filesystem +iostreams +mpi +python +regex +serialization +shared +system +timer
+  - cmake
+  - fftw
+  - fmt
+  - gsl
+  - hdf5+cxx+hl+fortran
+  - kokkos +aggressive_vectorization ~alloc_async +cuda_constexpr +cuda_lambda ~cuda_relocatable_device_code ~cuda_uvm cxxstd=17 +openmp +pic +serial +shared +tuning +wrapper
+  - kokkos-kernels +blas +cublas +cusparse +cusolver +execspace_cuda +execspace_openmp +execspace_serial +lapack +memspace_cudaspace +openmp scalars=float,double,complex_float,complex_double +serial +shared +superlu
+  - kokkos-tools +mpi +papi
+  - netlib-scalapack
+  - lua
+  - libtree
+  - lz4
+  - meson
+  - ninja
+  - openblas threads=openmp
+  - [email protected]
+  - papi ~cuda
+  - [email protected]
+  - zlib-ng
+  # add GPU-specific packages here, for easier comparison with mc version
+  - nccl
+  - nccl-tests
+  - [email protected]
+  - aws-ofi-nccl
+  - superlu
+  variants:
+  - +mpi
+  - +cuda
+  - cuda_arch=90
+  views:
+    default:
+      link: roots
+      uenv:
+        add_compilers: true
+        prefix_paths:
+          LD_LIBRARY_PATH: [lib, lib64]

recipes/prgenv-gnu/24.11/gh200/extra/reframe.yaml

@@ -0,0 +1,11 @@
+default:
+  features:
+    - cuda
+    - mpi
+    - osu-micro-benchmarks
+    - openmp
+    - serial
+  cc: mpicc
+  cxx: mpic++
+  ftn: mpifort
+  activation: uenv view develop

recipes/prgenv-gnu/23.11/mc/compilers.yaml → recipes/prgenv-gnu/24.11/mc/compilers.yaml

@@ -2,4 +2,4 @@ bootstrap:
   spec: gcc@11
 gcc:
   specs:
-  - gcc@12
+  - gcc@13

recipes/prgenv-gnu/24.11/mc/config.yaml

@@ -0,0 +1,7 @@
+name: prgenv-gnu
+spack:
+  commit: releases/v0.23
+  repo: https://github.com/spack/spack.git
+store: /user-environment
+description: GNU Compiler toolchain with cray-mpich, Python, CMake and other development tools.
+

recipes/prgenv-gnu/24.11/mc/environments.yaml

@@ -0,0 +1,38 @@
+gcc-env:
+  compiler:
+      - toolchain: gcc
+        spec: gcc@13
+  mpi:
+      spec: [email protected]
+      gpu: Null
+  unify: true
+  specs:
+  - boost +chrono +filesystem +iostreams +mpi +python +regex +serialization +shared +system +timer
+  - cmake
+  - fftw
+  - fmt
+  - gsl
+  - hdf5+cxx+hl+fortran
+  - kokkos +aggressive_vectorization cxxstd=17 +openmp +pic +serial +shared +tuning
+  - kokkos-kernels +blas +execspace_openmp +execspace_serial +lapack +openmp scalars=float,double,complex_float,complex_double +serial +shared +superlu
+  - kokkos-tools +mpi +papi
+  - netlib-scalapack
+  - lua
+  - libtree
+  - lz4
+  - meson
+  - ninja
+  - openblas threads=openmp
+  - [email protected]
+  - [email protected]
+  - superlu
+  - zlib-ng
+  variants:
+  - +mpi
+  views:
+    default:
+      link: roots
+      uenv:
+        add_compilers: true
+        prefix_paths:
+          LD_LIBRARY_PATH: [lib, lib64]

recipes/prgenv-gnu/23.11/mc/extra/reframe.yaml → recipes/prgenv-gnu/24.11/mc/extra/reframe.yaml

@@ -3,4 +3,4 @@ default:
   cc: mpicc
   cxx: mpic++
   ftn: mpifort
-  activation: /user-environment/env/default/activate.sh
+  activation: uenv view develop

recipes/prgenv-gnu/24.11/mc/modules.yaml

@@ -0,0 +1,23 @@
+modules:
+  # Paths to check when creating modules for all module sets
+  prefix_inspections:
+    bin:
+      - PATH
+    lib:
+      - LD_LIBRARY_PATH
+    lib64:
+      - LD_LIBRARY_PATH
+
+  default:
+    arch_folder: false
+    # Where to install modules
+    roots:
+      tcl: /user-environment/modules
+    tcl:
+      all:
+        autoload: none
+      hash_length: 0
+      exclude_implicits: true
+      exclude: ['%[email protected]', 'gcc %[email protected]']
+      projections:
+        all: '{name}/{version}'