Merge remote-tracking branch 'upstream/master' into MovingBubblesFresh-clean

Author: wilfonba

.github/Dockerfile

@@ -7,38 +7,82 @@ ARG CXX_COMPILER
 ARG FC_COMPILER
 ARG COMPILER_PATH
 ARG COMPILER_LD_LIBRARY_PATH
+ARG AFAR_VERSION
+ARG OLCF_AFAR_ROOT=""
+
+ENV DEBIAN_FRONTEND=noninteractive
+ENV TZ=UTC
 
 RUN apt-get update -y && \
-    apt-get install -y software-properties-common ca-certificates gnupg && \
+    apt-get install -y software-properties-common ca-certificates gnupg wget && \
     add-apt-repository ppa:deadsnakes/ppa && \
     apt-get update -y && \
-    if [ "$TARGET" != "gpu" ]; then \
+    if [ "$TARGET" = "cpu" ]; then \
         apt-get install -y \
             build-essential git make cmake gcc g++ gfortran bc \
             python3.12 python3.12-venv python3-pip \
             openmpi-bin libopenmpi-dev libfftw3-dev \
             mpich libmpich-dev; \
-    else \
+    elif [ "$TARGET" = "gpu" ]; then \
         apt-get install -y \
             build-essential git make cmake bc \
             python3.12 python3.12-venv python3-pip \
             libfftw3-dev \
             openmpi-bin libopenmpi-dev; \
+    elif [ "$TARGET" = "amd" ]; then \
+        apt-get install -y \
+            build-essential git make gcc g++ gfortran bc \
+            python3.12 python3.12-venv python3-pip \
+            libfftw3-dev libnuma1 libdrm2 libdrm-amdgpu1; \
     fi && \
     update-alternatives --install /usr/bin/python3 python3 /usr/bin/python3.12 2 && \
     rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
 
+# AMD: download AFAR, install cmake 3.28 (Ubuntu 22.04 ships 3.22 which doesn't
+# recognize amdflang as LLVMFlang), then build MPICH with amdflang so the
+# generated mpi.mod is compiler-compatible.
+RUN if [ "$TARGET" = "amd" ] && [ -n "$AFAR_VERSION" ]; then \
+        OLCF_AFAR_ROOT="/opt/${AFAR_VERSION}" && \
+        wget -q "https://repo.radeon.com/rocm/misc/flang/${AFAR_VERSION}-ubuntu.tar.bz2" -O /tmp/afar.tar.bz2 && \
+        tar -xjf /tmp/afar.tar.bz2 -C /opt/ && \
+        rm /tmp/afar.tar.bz2 && \
+        CMAKE_VER=3.28.6 && \
+        wget -q "https://github.com/Kitware/CMake/releases/download/v${CMAKE_VER}/cmake-${CMAKE_VER}-linux-x86_64.sh" \
+            -O /tmp/cmake-install.sh && \
+        chmod +x /tmp/cmake-install.sh && \
+        /tmp/cmake-install.sh --prefix=/usr/local --skip-license --exclude-subdir && \
+        rm /tmp/cmake-install.sh && \
+        printf '#!/bin/bash\nargs=()\nwhile [ "$#" -gt 0 ]; do\n    if [ "$1" = "-soname" ]; then\n        args+=("-Wl,-soname,$2"); shift 2\n    else\n        args+=("$1"); shift\n    fi\ndone\nexec '"${OLCF_AFAR_ROOT}"'/bin/amdflang "${args[@]}"\n' \
+            > /usr/local/bin/amdflang-ld-wrap && \
+        chmod +x /usr/local/bin/amdflang-ld-wrap && \
+        MPICH_VER=3.4.3 && \
+        wget -q "https://www.mpich.org/static/downloads/${MPICH_VER}/mpich-${MPICH_VER}.tar.gz" \
+            -O /tmp/mpich.tar.gz && \
+        mkdir -p /tmp/mpich-src && \
+        tar -xzf /tmp/mpich.tar.gz -C /tmp/mpich-src --strip-components=1 && \
+        cd /tmp/mpich-src && \
+        FC=/usr/local/bin/amdflang-ld-wrap CC=gcc CXX=g++ \
+            ./configure --prefix=/opt/mpich --enable-shared --disable-static \
+            --with-device=ch3 2>&1 && \
+        make -j$(nproc) 2>&1 && \
+        make install 2>&1 && \
+        cd / && \
+        rm -rf /tmp/mpich-src /tmp/mpich.tar.gz; \
+    fi
+
 ENV OMPI_ALLOW_RUN_AS_ROOT=1
 ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
+ENV HYDRA_LAUNCHER=fork
 ENV PATH="/opt/MFC:$PATH"
 
 COPY ../ /opt/MFC
 
 ENV CC=${CC_COMPILER}
 ENV CXX=${CXX_COMPILER}
 ENV FC=${FC_COMPILER}
-ENV PATH="${COMPILER_PATH}:$PATH"
-ENV LD_LIBRARY_PATH="${COMPILER_LD_LIBRARY_PATH}:${LD_LIBRARY_PATH:-}"
+ENV OLCF_AFAR_ROOT=${OLCF_AFAR_ROOT}
+ENV PATH="${COMPILER_PATH}:/opt/mpich/bin:$PATH"
+ENV LD_LIBRARY_PATH="${COMPILER_LD_LIBRARY_PATH}:/opt/mpich/lib:${LD_LIBRARY_PATH:-}"
 
 # Pre-install numpy into the venv before mfc.sh runs, as it's required at
 # build time by several dependencies (pandas, cantera, matplotlib, etc.) that
@@ -50,14 +94,18 @@ RUN python3.12 -m venv /opt/MFC/build/venv && \
 RUN echo "TARGET=$TARGET CC=$CC_COMPILER FC=$FC_COMPILER" && \
     cd /opt/MFC && \
     if [ "$TARGET" = "gpu" ]; then \
-      ./mfc.sh build --gpu -j $(nproc); \
+      ./mfc.sh build --gpu acc -j $(nproc); \
+    elif [ "$TARGET" = "amd" ]; then \
+      ./mfc.sh build --gpu mp -j $(nproc); \
     else \
       ./mfc.sh build -j $(nproc); \
     fi
 
 RUN cd /opt/MFC && \
     if [ "$TARGET" = "gpu" ]; then \
-      ./mfc.sh test -a --dry-run --gpu -j $(nproc); \
+      ./mfc.sh test -a --dry-run --gpu acc -j $(nproc); \
+    elif [ "$TARGET" = "amd" ]; then \
+      ./mfc.sh test -a --dry-run --gpu mp -j $(nproc); \
     else \
       ./mfc.sh test -a --dry-run -j $(nproc); \
     fi

.github/file-filter.yml

@@ -30,6 +30,8 @@ yml: &yml
   - '.github/workflows/bench.yml'
   - '.github/workflows/test.yml'
   - '.github/workflows/formatting.yml'
+  - '.github/workflows/fp-stability.yml'
+  - '.github/workflows/convergence.yml'
 
 checkall: &checkall
   - *fortran_src

.github/workflows/convergence.yml

@@ -0,0 +1,57 @@
+name: Convergence
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    types: [opened, synchronize, reopened, ready_for_review]
+  workflow_dispatch:
+
+env:
+  OMPI_MCA_rmaps_base_oversubscribe: 1
+
+jobs:
+  file-changes:
+    name: Detect File Changes
+    runs-on: ubuntu-latest
+    outputs:
+      checkall: ${{ steps.changes.outputs.checkall }}
+    steps:
+      - name: Clone
+        uses: actions/checkout@v4
+
+      - name: Detect Changes
+        uses: dorny/paths-filter@v3
+        id: changes
+        with:
+          filters: ".github/file-filter.yml"
+
+  convergence:
+    name: "Convergence"
+    runs-on: ubuntu-latest
+    needs: [file-changes]
+    if: >-
+      !cancelled() &&
+      needs.file-changes.result == 'success' &&
+      (needs.file-changes.outputs.checkall == 'true' || github.event_name == 'workflow_dispatch')
+    timeout-minutes: 240
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Setup Ubuntu
+        run: |
+          sudo apt update -y
+          sudo apt install -y cmake gcc g++ python3 python3-dev \
+                   openmpi-bin libopenmpi-dev
+
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Build MFC
+        run: ./mfc.sh build -j 4
+
+      - name: Run convergence tests
+        run: ./mfc.sh test --only Convergence --no-build -j 1

.github/workflows/deploy-tap.yml

@@ -28,6 +28,9 @@ jobs:
     permissions:
       contents: write
       pull-requests: write
+    environment:
+      name: homebrew
+      url: https://github.com/MFlowCode/homebrew-mfc
     steps:
       - name: Checkout MFC repository
         uses: actions/checkout@v4