From 43302cf3beec6c1459c1a32028ccb1e641baf529 Mon Sep 17 00:00:00 2001 From: Louis Moresi Date: Tue, 10 Mar 2026 08:00:37 +1100 Subject: [PATCH] Switch default MPI to OpenMPI on macOS, fix parallel scaling (issue #68) MPICH 4.x has a collective-operation performance bug on macOS Apple Silicon that causes catastrophic scaling regression (31x slowdown at 6 procs). OpenMPI does not have this issue. - pixi.toml: platform-conditional MPI (OpenMPI on macOS, MPICH on Linux) with explicit override environments for non-default MPI choice - build-petsc.sh: auto-detect MPI, use petsc-4-uw-{openmpi,mpich} arch so both builds co-exist under the same PETSc source tree - uw: setup wizard includes MPI question with platform-appropriate defaults, petsc_built() checks correct arch, doctor display fix for import crashes - Add OMP_NUM_THREADS=1 to prevent OpenBLAS thread oversubscription Underworld development team with AI support from Claude Code --- petsc-custom/build-petsc.sh | 76 +- pixi.lock | 15571 +++++++++++++++++++++++++++++++--- pixi.toml | 177 +- uw | 185 +- 4 files changed, 14537 insertions(+), 1472 deletions(-) diff --git a/petsc-custom/build-petsc.sh b/petsc-custom/build-petsc.sh index ee246c8d..751bd1e4 100755 --- a/petsc-custom/build-petsc.sh +++ b/petsc-custom/build-petsc.sh @@ -9,6 +9,11 @@ # - slepc: eigenvalue solvers # - mumps: direct solver # +# MPI is auto-detected from the active pixi environment: +# - MPICH → PETSC_ARCH = petsc-4-uw-mpich +# - OpenMPI → PETSC_ARCH = petsc-4-uw-openmpi +# +# Both builds co-exist under the same PETSc source tree. # Build time: ~1 hour on Apple Silicon # # Usage: @@ -16,13 +21,14 @@ # ./build-petsc.sh configure # Just reconfigure # ./build-petsc.sh build # Just build (after configure) # ./build-petsc.sh petsc4py # Just build petsc4py -# ./build-petsc.sh clean # Remove PETSc directory +# ./build-petsc.sh clean # Remove build for detected MPI +# ./build-petsc.sh clean-all # Remove entire PETSc directory +# ./build-petsc.sh help # Show this help # set -e SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)" PETSC_DIR="${SCRIPT_DIR}/petsc" -PETSC_ARCH="petsc-4-uw" # Detect active pixi environment (robust) if [ -z "$PIXI_PROJECT_ROOT" ]; then @@ -37,18 +43,46 @@ print(pathlib.Path(sys.executable).resolve().parents[1]) EOF )" +# ── MPI auto-detection ────────────────────────────────────────────── +# Detect which MPI implementation is available in the pixi environment. +# Sets MPI_IMPL ("mpich" or "openmpi") and PETSC_ARCH accordingly. + +detect_mpi() { + local mpi_version + mpi_version=$(python3 -c "from mpi4py import MPI; print(MPI.Get_library_version())" 2>/dev/null || echo "") + + if echo "$mpi_version" | grep -qi "open mpi"; then + echo "openmpi" + elif echo "$mpi_version" | grep -qi "mpich"; then + echo "mpich" + else + # Fallback: check for mpicc --version + local mpicc_out + mpicc_out=$("$PIXI_ENV/bin/mpicc" --version 2>&1 || echo "") + if echo "$mpicc_out" | grep -qi "open mpi"; then + echo "openmpi" + else + echo "mpich" # default fallback + fi + fi +} + +MPI_IMPL=$(detect_mpi) +PETSC_ARCH="petsc-4-uw-${MPI_IMPL}" + echo "==========================================" echo "PETSc AMR Build Script" echo "==========================================" echo "PETSC_DIR: $PETSC_DIR" echo "PETSC_ARCH: $PETSC_ARCH" +echo "MPI: $MPI_IMPL" echo "PIXI_ENV: $PIXI_ENV" echo "==========================================" clone_petsc() { if [ -d "$PETSC_DIR" ]; then echo "PETSc directory already exists. Skipping clone." - echo "To force fresh clone, run: ./build-petsc.sh clean" + echo "To force fresh clone, run: ./build-petsc.sh clean-all" return 0 fi @@ -58,7 +92,7 @@ clone_petsc() { } configure_petsc() { - echo "Configuring PETSc with AMR tools..." + echo "Configuring PETSc with AMR tools ($MPI_IMPL)..." cd "$PETSC_DIR" # Configure with adaptive mesh refinement tools @@ -86,6 +120,7 @@ configure_petsc() { --with-hdf5-dir="$PIXI_ENV" \ --download-hdf5=0 \ --download-mpich=0 \ + --download-openmpi=0 \ --download-mpi4py=0 \ --with-petsc4py=0 @@ -93,7 +128,7 @@ configure_petsc() { } build_petsc() { - echo "Building PETSc..." + echo "Building PETSc ($MPI_IMPL)..." cd "$PETSC_DIR" # Set environment for build @@ -116,7 +151,7 @@ test_petsc() { } build_petsc4py() { - echo "Building petsc4py..." + echo "Building petsc4py ($MPI_IMPL)..." cd "$PETSC_DIR/src/binding/petsc4py" export PETSC_DIR @@ -128,7 +163,19 @@ build_petsc4py() { } clean_petsc() { - echo "Removing PETSc directory..." + # Clean just the arch-specific build + local arch_dir="$PETSC_DIR/$PETSC_ARCH" + echo "Removing PETSc build for $MPI_IMPL ($arch_dir)..." + if [ -d "$arch_dir" ]; then + rm -rf "$arch_dir" + echo "Cleaned $PETSC_ARCH." + else + echo "Nothing to clean for $PETSC_ARCH." + fi +} + +clean_all() { + echo "Removing entire PETSc directory..." if [ -d "$PETSC_DIR" ]; then rm -rf "$PETSC_DIR" echo "Cleaned." @@ -140,6 +187,9 @@ clean_petsc() { show_help() { echo "Usage: $0 [command]" echo "" + echo "MPI auto-detected from pixi environment: $MPI_IMPL" + echo "PETSC_ARCH: $PETSC_ARCH" + echo "" echo "Commands:" echo " (none) Full build: clone, configure, build, petsc4py" echo " clone Clone PETSc repository" @@ -147,8 +197,13 @@ show_help() { echo " build Build PETSc" echo " test Run PETSc tests" echo " petsc4py Build and install petsc4py" - echo " clean Remove PETSc directory" + echo " clean Remove build for current MPI ($PETSC_ARCH)" + echo " clean-all Remove entire PETSc directory (all MPI builds)" echo " help Show this help" + echo "" + echo "MPICH and OpenMPI builds co-exist. To build both:" + echo " pixi run -e amr ./petsc-custom/build-petsc.sh" + echo " pixi run -e amr-openmpi ./petsc-custom/build-petsc.sh" } # Main entry point @@ -160,7 +215,7 @@ case "${1:-all}" in build_petsc4py echo "" echo "==========================================" - echo "PETSc AMR build complete!" + echo "PETSc AMR build complete! 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__osx >=11.0 + - libcxx >=19 + license: Zlib + license_family: Other + purls: [] + size: 94375 + timestamp: 1770168363685 - conda: https://conda.anaconda.org/conda-forge/linux-64/zstandard-0.25.0-py312h5253ce2_1.conda sha256: c2bcb8aa930d6ea3c9c7a64fc4fab58ad7bcac483a9a45de294f67d2f447f413 md5: 02738ff9855946075cbd1b5274399a41 diff --git a/pixi.toml b/pixi.toml index 04546879..26c7b8d7 100644 --- a/pixi.toml +++ b/pixi.toml @@ -1,22 +1,26 @@ # Underworld3 In-Repository Build Configuration # -# Two PETSc options: -# - Default: conda-forge PETSc (~5 min install) -# - AMR: Custom PETSc with adaptive mesh tools (~1 hour build) +# MPI is chosen automatically per platform: +# macOS → OpenMPI (MPICH 4.x has a collective-op scaling bug — issue #68) +# Linux → MPICH (traditional default) # -# Three environment tiers: -# - default/amr: Minimal - build and run underworld3 -# - runtime/amr-runtime: Run tutorials - adds viz, jupyter -# - dev/amr-dev: Development - adds claude, linting, etc. +# Two PETSc tracks: +# conda-forge PETSc (~5 min install, no AMR tools) +# Custom PETSc (~1 hour build, includes pragmatic/mmg/parmmg/slepc) # -# Usage: -# pixi install # Minimal environment -# pixi install -e runtime # For running tutorials -# pixi install -e dev # For development +# Three feature tiers: +# minimal — build and run underworld3 +# runtime — add visualization + Jupyter +# dev — add Claude, linting, documentation tools # -# pixi install -e amr # AMR minimal (then: pixi run -e amr petsc-build) -# pixi install -e amr-runtime # AMR for tutorials -# pixi install -e amr-dev # AMR for development +# Interactive setup (recommended): +# ./uw setup # Guides you through all choices +# +# Manual install: +# pixi install # Minimal (platform-default MPI) +# pixi install -e dev # Development +# pixi install -e amr-dev # AMR + development +# pixi install -e amr-openmpi-dev # AMR + explicit OpenMPI + development [workspace] name = "underworld3" @@ -47,7 +51,17 @@ install-geo = "pip install gdal pyproj cartopy geopandas owslib" # ============================================ # BASE DEPENDENCIES (shared by all environments) # ============================================ -# NOTE: petsc/petsc4py are in features below, not here +# NOTE: petsc/petsc4py and MPI are in features below, not here + +# Prevent OpenMP thread oversubscription with MPI. The conda-forge +# OpenBLAS, SuiteSparse, and SuperLU_DIST are all built with OpenMP and +# default to spawning one thread per core. With N MPI ranks that means +# N × cores threads competing for cores — catastrophic at scale. +# The pthreads variant of OpenBLAS would be ideal but mumps-mpi in +# conda-forge hard-requires the openmp build, so we cap threads instead. +[activation.env] +OMP_NUM_THREADS = "1" +OPENBLAS_NUM_THREADS = "1" [dependencies] python = "3.12.*" @@ -95,49 +109,123 @@ pygmsh = ">=7.1,<8" rich = "*" # ============================================ -# CONDA-FORGE PETSC FEATURE +# CONDA-FORGE PETSC — platform-default MPI # ============================================ -# Quick install (~5 min), no AMR tools +# macOS gets OpenMPI, Linux gets MPICH (via [target] sections). +# Quick install (~5 min), no AMR tools. [feature.conda-petsc.dependencies] -# PETSc 3.24 compatible - requires clean rebuild after version changes petsc = ">=3.21,<4" petsc4py = ">=3.21,<4" +mpi4py = ">=4,<5" + +[feature.conda-petsc.target.osx-arm64.dependencies] +openmpi = ">=5.0,<6" +h5py = { version = ">=3.12,<4", build = "*openmpi*" } + +[feature.conda-petsc.target.linux-64.dependencies] h5py = { version = ">=3.12,<4", build = "*mpich*" } + +# ============================================ +# CONDA-FORGE PETSC — explicit MPI overrides +# ============================================ +# Use these when you need the non-default MPI for your platform. + +[feature.conda-petsc-mpich.dependencies] +petsc = ">=3.21,<4" +petsc4py = ">=3.21,<4" +mpi4py = ">=4,<5" +h5py = { version = ">=3.12,<4", build = "*mpich*" } + +[feature.conda-petsc-openmpi.dependencies] +openmpi = ">=5.0,<6" +petsc = ">=3.21,<4" +petsc4py = ">=3.21,<4" mpi4py = ">=4,<5" +h5py = { version = ">=3.12,<4", build = "*openmpi*" } # ============================================ -# CUSTOM PETSC FEATURE (AMR) +# CUSTOM PETSC (AMR) — platform-default MPI # ============================================ # Build PETSc from source with adaptive mesh tools: # - pragmatic: anisotropic mesh adaptation # - mmg/parmmg: surface/volume mesh adaptation # - slepc: eigenvalue solvers +# +# The build script (petsc-custom/build-petsc.sh) auto-detects MPI +# from the active pixi environment and sets PETSC_ARCH accordingly. +# MPICH and OpenMPI builds co-exist under the same PETSc source tree. +# # Build time: ~1 hour on Apple Silicon [feature.amr.dependencies] -# Build tools for PETSc compilation gfortran = ">=14.2,<15" cxx-compiler = ">=1.9,<2" cmake = ">=3.31,<4" make = ">=4.4,<5" +mpi4py = ">=4,<5" + +[feature.amr.activation.env] +PETSC_DIR = "$PIXI_PROJECT_ROOT/petsc-custom/petsc" + +[feature.amr.target.osx-arm64.dependencies] +openmpi = ">=5.0,<6" +hdf5 = { version = ">=1.14,<2", build = "*openmpi*" } +h5py = { version = ">=3.12,<4", build = "*openmpi*" } + +[feature.amr.target.osx-arm64.activation.env] +PETSC_ARCH = "petsc-4-uw-openmpi" + +[feature.amr.target.linux-64.dependencies] +hdf5 = { version = ">=1.14,<2", build = "*mpich*" } +h5py = { version = ">=3.12,<4", build = "*mpich*" } -# MPI and HDF5 from conda-forge (PETSc links against these) +[feature.amr.target.linux-64.activation.env] +PETSC_ARCH = "petsc-4-uw-mpich" + +[feature.amr.tasks] +petsc-local-build = { cmd = "./build-petsc.sh", cwd = "petsc-custom" } +petsc-local-clean = { cmd = "./build-petsc.sh clean", cwd = "petsc-custom" } + +# ============================================ +# CUSTOM PETSC (AMR) — explicit MPI overrides +# ============================================ + +# --- Force MPICH (e.g. macOS user needing MPICH for compatibility) --- +[feature.amr-mpich.dependencies] +gfortran = ">=14.2,<15" +cxx-compiler = ">=1.9,<2" +cmake = ">=3.31,<4" +make = ">=4.4,<5" mpich = ">=4.3,<5" mpi4py = ">=4,<5" hdf5 = { version = ">=1.14,<2", build = "*mpich*" } h5py = { version = ">=3.12,<4", build = "*mpich*" } -# NOTE: petsc and petsc4py are built from source -# by petsc-custom/build-petsc.sh +[feature.amr-mpich.activation.env] +PETSC_DIR = "$PIXI_PROJECT_ROOT/petsc-custom/petsc" +PETSC_ARCH = "petsc-4-uw-mpich" + +[feature.amr-mpich.tasks] +petsc-local-build = { cmd = "./build-petsc.sh", cwd = "petsc-custom" } +petsc-local-clean = { cmd = "./build-petsc.sh clean", cwd = "petsc-custom" } -[feature.amr.activation.env] +# --- Force OpenMPI (e.g. Linux cluster with OpenMPI) --- +[feature.amr-openmpi.dependencies] +gfortran = ">=14.2,<15" +cxx-compiler = ">=1.9,<2" +cmake = ">=3.31,<4" +make = ">=4.4,<5" +openmpi = ">=5.0,<6" +mpi4py = ">=4,<5" +hdf5 = { version = ">=1.14,<2", build = "*openmpi*" } +h5py = { version = ">=3.12,<4", build = "*openmpi*" } + +[feature.amr-openmpi.activation.env] PETSC_DIR = "$PIXI_PROJECT_ROOT/petsc-custom/petsc" -PETSC_ARCH = "petsc-4-uw" +PETSC_ARCH = "petsc-4-uw-openmpi" -[feature.amr.tasks] -# Build custom PETSc with AMR tools (~1 hour, includes petsc4py) -# Sub-commands: ./build-petsc.sh [configure|build|petsc4py|clean|help] +[feature.amr-openmpi.tasks] petsc-local-build = { cmd = "./build-petsc.sh", cwd = "petsc-custom" } petsc-local-clean = { cmd = "./build-petsc.sh clean", cwd = "petsc-custom" } @@ -198,24 +286,29 @@ docs-audit = { cmd = "python scripts/docs_audit.py", description = "Audit API do # ============================================ # ENVIRONMENT DEFINITIONS # ============================================ +# Primary environments use platform-default MPI (OpenMPI on macOS, +# MPICH on Linux). Override environments force a specific MPI. [environments] -# --- Default Track (conda-forge PETSc) --- -# Minimal: Just build and run underworld3 -default = { features = ["conda-petsc"], solve-group = "default" } +# --- Primary (platform-default MPI) --- +default = { features = ["conda-petsc"], solve-group = "default" } +runtime = { features = ["conda-petsc", "runtime"], solve-group = "default" } +dev = { features = ["conda-petsc", "runtime", "dev"], solve-group = "default" } -# Runtime: Run tutorials and examples (viz, jupyter) -runtime = { features = ["conda-petsc", "runtime"], solve-group = "default" } +amr = { features = ["amr"], solve-group = "amr" } +amr-runtime = { features = ["amr", "runtime"], solve-group = "amr" } +amr-dev = { features = ["amr", "runtime", "dev"], solve-group = "amr" } -# Dev: Full development environment -dev = { features = ["conda-petsc", "runtime", "dev"], solve-group = "default" } +# --- Explicit MPICH (override for macOS, or when MPICH is required) --- +mpich = { features = ["conda-petsc-mpich"], solve-group = "mpich" } +mpich-dev = { features = ["conda-petsc-mpich", "runtime", "dev"], solve-group = "mpich" } -# --- AMR Track (custom PETSc with mesh adaptation) --- -# AMR Minimal: Build custom PETSc, then underworld3 -amr = { features = ["amr"], solve-group = "amr" } +amr-mpich = { features = ["amr-mpich"], solve-group = "amr-mpich" } +amr-mpich-dev = { features = ["amr-mpich", "runtime", "dev"], solve-group = "amr-mpich" } -# AMR Runtime: For tutorials with adaptive mesh -amr-runtime = { features = ["amr", "runtime"], solve-group = "amr" } +# --- Explicit OpenMPI (override for Linux clusters, or when OpenMPI is required) --- +openmpi = { features = ["conda-petsc-openmpi"], solve-group = "openmpi" } +openmpi-dev = { features = ["conda-petsc-openmpi", "runtime", "dev"], solve-group = "openmpi" } -# AMR Dev: Full development with custom PETSc -amr-dev = { features = ["amr", "runtime", "dev"], solve-group = "amr" } +amr-openmpi = { features = ["amr-openmpi"], solve-group = "amr-openmpi" } +amr-openmpi-dev = { features = ["amr-openmpi", "runtime", "dev"], solve-group = "amr-openmpi" } diff --git a/uw b/uw index a303d39f..cd0785e0 100755 --- a/uw +++ b/uw @@ -39,12 +39,35 @@ get_env() { fi } +petsc_arch_for_env() { + # Derive the PETSC_ARCH from the environment name. + # Primary AMR envs (amr, amr-runtime, amr-dev) use platform-default MPI. + # Override envs (amr-mpich*, amr-openmpi*) force a specific MPI. + local env="$1" + case "$env" in + amr-mpich*) echo "petsc-4-uw-mpich" ;; + amr-openmpi*) echo "petsc-4-uw-openmpi" ;; + amr*) + # Platform-default MPI + if [[ "$(uname -s)" == "Darwin" ]]; then + echo "petsc-4-uw-openmpi" + else + echo "petsc-4-uw-mpich" + fi + ;; + *) echo "" ;; # conda-forge, no custom PETSc + esac +} + petsc_built() { # Check for actual PETSc library, not just the lib directory # The lib directory can exist if the build failed partway through - [ -f "$PETSC_CUSTOM/petsc-4-uw/lib/libpetsc.dylib" ] || \ - [ -f "$PETSC_CUSTOM/petsc-4-uw/lib/libpetsc.so" ] || \ - [ -f "$PETSC_CUSTOM/petsc-4-uw/lib/libpetsc.a" ] + local env="${1:-$(get_env)}" + local arch=$(petsc_arch_for_env "$env") + [ -z "$arch" ] && return 1 # not an AMR env + [ -f "$PETSC_CUSTOM/$arch/lib/libpetsc.dylib" ] || \ + [ -f "$PETSC_CUSTOM/$arch/lib/libpetsc.so" ] || \ + [ -f "$PETSC_CUSTOM/$arch/lib/libpetsc.a" ] } petsc4py_installed() { @@ -217,8 +240,8 @@ run_doctor() { # Check 4: underworld3 importable? echo -n " Checking underworld3... " local import_error="" - import_error=$($PIXI run -e "$env" python -c "import underworld3" 2>&1) - local import_status=$? + local import_status=0 + import_error=$($PIXI run -e "$env" python -c "import underworld3" 2>&1) || import_status=$? if [ $import_status -eq 0 ]; then echo -e "${GREEN}[OK]${NC} underworld3 importable" @@ -431,20 +454,65 @@ run_setup() { read -p "Choice [2]: " feature_choice feature_choice=${feature_choice:-2} - # Determine environment + echo "" + + # Question 3: MPI implementation? + echo -e "${BOLD}Which MPI implementation?${NC}" + echo "" + # Platform-default MPI + local default_mpi="mpich" + local other_mpi="openmpi" + if [[ "$(uname -s)" == "Darwin" ]]; then + default_mpi="openmpi" + other_mpi="mpich" + fi + echo " [1] Platform default ($default_mpi)" + echo " [2] Override: $other_mpi" + if [[ "$(uname -s)" == "Darwin" ]]; then + echo "" + echo " Note: MPICH 4.x has a known scaling bug on macOS (issue #68)." + echo " OpenMPI is recommended unless you need MPICH for compatibility." + fi + echo "" + read -p "Choice [1]: " mpi_choice + mpi_choice=${mpi_choice:-1} + + local mpi_override=false + [ "$mpi_choice" = "2" ] && mpi_override=true + + # Determine environment from the three choices + # Primary envs use platform-default MPI; override envs force non-default MPI. local new_env - if [ "$use_amr" = true ]; then - case "$feature_choice" in - 1) new_env="amr" ;; - 3) new_env="amr-dev" ;; - *) new_env="amr-runtime" ;; - esac + if [ "$mpi_override" = false ]; then + # Platform-default MPI → use primary environments + if [ "$use_amr" = true ]; then + case "$feature_choice" in + 1) new_env="amr" ;; + 3) new_env="amr-dev" ;; + *) new_env="amr-runtime" ;; + esac + else + case "$feature_choice" in + 1) new_env="default" ;; + 3) new_env="dev" ;; + *) new_env="runtime" ;; + esac + fi else - case "$feature_choice" in - 1) new_env="default" ;; - 3) new_env="dev" ;; - *) new_env="runtime" ;; - esac + # Non-default MPI → use override environments + if [ "$use_amr" = true ]; then + case "$feature_choice" in + 1) new_env="amr-${other_mpi}" ;; + 3) new_env="amr-${other_mpi}-dev" ;; + *) new_env="amr-${other_mpi}-dev" ;; # no runtime override; use dev + esac + else + case "$feature_choice" in + 1) new_env="${other_mpi}" ;; + 3) new_env="${other_mpi}-dev" ;; + *) new_env="${other_mpi}-dev" ;; # no runtime override; use dev + esac + fi fi echo "" @@ -586,17 +654,28 @@ QUICK START ENVIRONMENTS - ┌─────────────┬──────────────────┬─────────────────────────────────┐ - │ Environment │ PETSc │ Features │ - ├─────────────┼──────────────────┼─────────────────────────────────┤ - │ default │ conda-forge │ minimal │ - │ runtime │ conda-forge │ + pyvista, jupyter │ - │ dev │ conda-forge │ + claude, black, mypy │ - ├─────────────┼──────────────────┼─────────────────────────────────┤ - │ amr │ custom (~1hr) │ minimal + AMR tools │ - │ amr-runtime │ custom (~1hr) │ + pyvista, jupyter │ - │ amr-dev │ custom (~1hr) │ + claude, black, mypy │ - └─────────────┴──────────────────┴─────────────────────────────────┘ + MPI is chosen automatically per platform (OpenMPI on macOS, MPICH on + Linux). Use ./uw setup to configure — it stores the choice in .pixi-env. + + Primary environments (platform-default MPI): + ┌─────────────┬──────────────────┬───────────────────┐ + │ Environment │ PETSc │ Features │ + ├─────────────┼──────────────────┼───────────────────┤ + │ default │ conda-forge │ minimal │ + │ runtime │ conda-forge │ + pyvista, jupyter│ + │ dev │ conda-forge │ + claude, black │ + ├─────────────┼──────────────────┼───────────────────┤ + │ amr │ custom (~1hr) │ AMR tools │ + │ amr-runtime │ custom (~1hr) │ + pyvista, jupyter│ + │ amr-dev │ custom (~1hr) │ + claude, black │ + └─────────────┴──────────────────┴───────────────────┘ + + MPI override environments (when you need the non-default MPI): + mpich, mpich-dev, amr-mpich, amr-mpich-dev + openmpi, openmpi-dev, amr-openmpi, amr-openmpi-dev + + Platform defaults: macOS → OpenMPI, Linux → MPICH. + MPICH 4.x has a known scaling bug on macOS (issue #68). COMMANDS @@ -1018,7 +1097,18 @@ show_env_status() { echo "Environments: (* = selected, [✓] = uw3 built, [ ] = needs ./uw build)" echo "" - for env in default runtime dev amr amr-runtime amr-dev; do + # Determine platform-default MPI for display + local default_mpi="mpich" + [[ "$(uname -s)" == "Darwin" ]] && default_mpi="openmpi" + + for env in default runtime dev amr amr-runtime amr-dev \ + mpich mpich-dev amr-mpich amr-mpich-dev \ + openmpi openmpi-dev amr-openmpi amr-openmpi-dev; do + # Only show environments that are installed or selected + if ! env_installed "$env" && [ "$env" != "$current_env" ]; then + continue + fi + # Selected marker local marker=" " [ "$env" = "$current_env" ] && marker="* " @@ -1034,20 +1124,28 @@ show_env_status() { # Description local desc="" case "$env" in - default) desc="minimal" ;; - runtime) desc="+ viz, jupyter" ;; - dev) desc="+ claude, linting" ;; - amr) desc="custom PETSc" ;; - amr-runtime) desc="custom PETSc + viz" ;; - amr-dev) desc="custom PETSc + dev" ;; + default) desc="minimal ($default_mpi)" ;; + runtime) desc="+ viz, jupyter ($default_mpi)" ;; + dev) desc="+ claude, linting ($default_mpi)" ;; + mpich) desc="minimal (mpich override)" ;; + mpich-dev) desc="+ claude, linting (mpich override)" ;; + openmpi) desc="minimal (openmpi override)" ;; + openmpi-dev) desc="+ claude, linting (openmpi override)" ;; + amr) desc="custom PETSc ($default_mpi)" ;; + amr-runtime) desc="custom PETSc + viz ($default_mpi)" ;; + amr-dev) desc="custom PETSc + dev ($default_mpi)" ;; + amr-mpich) desc="custom PETSc (mpich override)" ;; + amr-mpich-dev) desc="custom PETSc + dev (mpich override)" ;; + amr-openmpi) desc="custom PETSc (openmpi override)" ;; + amr-openmpi-dev) desc="custom PETSc + dev (openmpi override)" ;; esac - # AMR note if PETSc not built - if [[ "$env" == amr* ]] && [ "$has_petsc" = "no" ]; then + # AMR note if PETSc not built for this env's arch + if is_amr_env "$env" && ! petsc_built "$env"; then desc="$desc (petsc not built)" fi - printf " %s%-11s %s %s\n" "$marker" "$env" "$build_status" "$desc" + printf " %s%-22s %s %s\n" "$marker" "$env" "$build_status" "$desc" done } @@ -1102,7 +1200,16 @@ case "${1:-}" in set-env) if [ -z "$2" ]; then echo "Usage: ./uw set-env " - echo "Options: default, runtime, dev, amr, amr-runtime, amr-dev" + echo "" + echo "Conda-forge PETSc:" + echo " MPICH: default, runtime, dev" + echo " OpenMPI: openmpi, openmpi-runtime, openmpi-dev" + echo "" + echo "Custom PETSc (AMR):" + echo " MPICH: amr, amr-runtime, amr-dev" + echo " OpenMPI: amr-openmpi, amr-openmpi-runtime, amr-openmpi-dev" + echo "" + echo "Or run './uw setup' for interactive configuration." exit 1 fi echo "$2" > "$CONFIG_FILE"