Prgenv nvfortran (#167)

Add `prgenv-nvfortran` that provides the nvhpc SDK for the OpenACC and CUDA Fortran compilers.

config.yaml

@@ -283,6 +283,12 @@ uenvs:
         todi: [gh200]
         bristen: [a100]
       develop: True
+  prgenv-nvfortran:
+    "24.11":
+      recipes:
+        gh200: 24.11/gh200
+      deploy:
+        todi: [gh200]
   quantumespresso:
     "v7.1":
       recipes:

docs/uenv-prgenv-fortran.md

@@ -0,0 +1,35 @@
+# prgenv-nvfortran uenv
+
+Provides a small set of tools and libraries for building applications that need the NVIDIA Fortran compiler:
+
+* applications that use OpenACC for GPU acceleration
+* applications that use CUDA Fortran for GPU acceleration
+
+It provides the NVHPC compilers, MPI (cray-mpich), Python, cuda (on systems with NVIDIA GPUs).
+
+## Using the uenv
+
+The image is only provided on Alps systems that have NVIDIA GPUs.
+To see which versions have been installed on a system, log in then search:
+
+```
+# search for uenv
+uenv image find prgenv-nvfortran
+
+# pull a version
+uenv image find prgenv-nvfortran/24.11:v1
+```
+
+To use the uenv, we recommend using the uenv view `--view=nvfort`:
+
+```
+uenv start prgenv-nvfortran/24.11:v1 --view=nvfort
+mpif90 --version
+```
+
+The above example shows that the MPI compiler wrappers are using the underlying NVIDIA compiler.
+The following wrappers are available:
+
+* `mpif77`
+* `mpif90`
+* `mpifort`

docs/uenv-prgenv-nvfortran.md

@@ -0,0 +1,45 @@
+# prgenv-nvfortran uenv
+
+Provides a small set of tools and libraries for building applications that need the NVIDIA Fortran compiler:
+
+* applications that use OpenACC for GPU acceleration;
+* applications that use CUDA Fortran for GPU acceleration.
+
+It provides the NVHPC compilers, MPI (cray-mpich), Python, cuda
+
+The naming scheme is `prgenv-nvidia/<version>:v<i>`, where `<version>` matches the version of the NVIDIA HPC SDK.
+
+* the SDK is released every two months, and is numbered in the `YY.MM` format, e.g. `24.1` and `24.11`.
+* the `prgenv-nvfortran` will be released three times a year (every second NVHPC release).
+
+## Using the uenv
+
+The image is only provided on Alps systems that have NVIDIA GPUs.
+To see which versions have been installed on a system, log in then search:
+
+```
+# search for uenv
+uenv image find prgenv-nvfortran
+
+# pull a version
+uenv image find prgenv-nvfortran/24.11:v1
+```
+
+To use the uenv, we recommend using the uenv view `--view=nvfort`:
+
+```
+uenv start prgenv-nvfortran/24.11:v1 --view=nvfort
+mpif90 --version
+```
+
+The above example shows that the MPI compiler wrappers are using the underlying NVIDIA compiler.
+The following wrappers are available:
+
+* `mpif77`
+* `mpif90`
+* `mpifort`
+
+And the following C/C++ wrapers are available:
+
+* `mpicc`
+* `mpicxx`

mkdocs.yml

@@ -10,6 +10,7 @@ nav:
     - 'linaro-forge': uenv-linaro-forge.md
     - 'namd': uenv-namd.md
     - 'prgenv-gnu': uenv-prgenv-gnu.md
+    - 'prgenv-nvfortran': uenv-prgenv-nvfortran.md
     - 'quantumespresso': uenv-qe.md
     - 'vasp': uenv-vasp.md
   - 'developers':

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

@@ -0,0 +1,9 @@
+bootstrap:
+  spec: [email protected]
+gcc:
+  specs:
+  - [email protected]
+llvm:
+  requires: gcc@13
+  specs:
+  - [email protected]

recipes/prgenv-nvfortran/24.11/gh200/config.yaml

@@ -0,0 +1,6 @@
+name: prgenv-nvfortran
+spack:
+  commit: releases/v0.22
+  repo: https://github.com/spack/spack.git
+store: /user-environment
+description: NVIDIA compiler toolchain (nvhpc) with cray-mpich, Python, CMake and other development tools.

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

@@ -0,0 +1,42 @@
+gcc-env:
+  compiler:
+      - toolchain: gcc
+        spec: gcc
+      - toolchain: llvm
+        spec: nvhpc
+  mpi:
+      spec: [email protected]%nvhpc
+      gpu: cuda
+  unify: true
+  specs:
+  - aws-ofi-nccl@master
+  - cmake
+  - [email protected]
+  - fftw%nvhpc +openmp
+  - fmt
+  - hdf5+hl+mpi
+  - libtree
+  - lua
+  - libtree
+  - lz4
+  - meson
+  #- netlib-scalapack%nvhpc
+  - nccl
+  - nccl-tests
+  - ninja
+  - nvpl-blas threads=openmp
+  - nvpl-lapack threads=openmp
+  #- openblas%nvhpc
+  - [email protected]%nvhpc
+  - [email protected]
+  - zlib-ng
+  variants:
+  - +mpi
+  - +cuda
+  - cuda_arch=90
+  views:
+    nvfort:
+      link: roots
+      uenv:
+        prefix_paths:
+          LD_LIBRARY_PATH: [lib, lib64]

recipes/prgenv-nvfortran/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: /user-environment/env/default/activate.sh

recipes/prgenv-nvfortran/24.11/gh200/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}'