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[ci] Modernize OpenMPI CI images to Ubuntu 26.04 / OpenMPI 5 (fix flaky mpi_group ORTE session-dir race) #144

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the-hampel merged 2 commits into from
Jul 24, 2026
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[ci] Modernize OpenMPI CI images to Ubuntu 26.04 / OpenMPI 5 (fix flaky mpi_group ORTE session-dir race) #144

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7323e98
[ci] github_ci: Ubuntu 26.04, OpenMPI 5, clang 22 / gcc 16, Python 3.14
the-hampel Jul 24, 2026
19fe3fa
[ci] openmpi: Ubuntu 26.04, OpenMPI 5, clang 22, Python 3.14
the-hampel Jul 24, 2026
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23 changes: 13 additions & 10 deletions Docker/github_ci_dockerfile
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
FROM ubuntu:24.04 AS base
ARG LLVM=20
FROM ubuntu:26.04 AS base
ARG LLVM=22

RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
build-essential \
Expand All @@ -11,9 +11,9 @@
dh-python \
clang-${LLVM} \
clang-tools-${LLVM} \
gcc-14 \
g++-14 \
gfortran-14 \
gcc-16 \
g++-16 \
gfortran-16 \
git \
hdf5-tools \
libboost-dev \
Expand Down Expand Up @@ -75,21 +75,24 @@
ENV MKL_NUM_THREADS=1
ENV OMPI_ALLOW_RUN_AS_ROOT=1
ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
ENV OMPI_MCA_rmaps_base_oversubscribe="yes"
# OpenMPI 5 moved mapping/oversubscribe from ORTE to PRRTE; the old
# OMPI_MCA_rmaps_base_oversubscribe is ignored and np>cores would fail with
# "not enough slots". PRRTE also fixes the concurrent-mpirun session-dir race.
ENV PRTE_MCA_rmaps_default_mapping_policy=:oversubscribe
ARG NCORES=8

# create source dirs
RUN cd / && mkdir -p triqs && mkdir -p source

ENV PYTHON_VERSION=3.12 \
CC=gcc-14 CXX=g++-14 \
ENV PYTHON_VERSION=3.14 \
CC=gcc-16 CXX=g++-16 \
CLANG_CC=clang-${LLVM} CLANG_CXX=clang++-${LLVM}
# triqs
ENV CPATH=/triqs/include:${CPATH} \

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PATH=/triqs/bin:${PATH} \
LIBRARY_PATH=/triqs/lib:${LIBRARY_PATH} \
LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
PYTHONPATH=/triqs/lib/python3.12/site-packages:/triqs/lib/python3.12/dist-packages:${PYTHONPATH} \
PYTHONPATH=/triqs/lib/python${PYTHON_VERSION}/site-packages:/triqs/lib/python${PYTHON_VERSION}/dist-packages:${PYTHONPATH} \
CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
CTEST_OUTPUT_ON_FAILURE=1 \
Expand Down Expand Up @@ -158,7 +161,7 @@
&& make -j$NCORES && ctest -j$NCORES && make install

# install sparse-ir into triqs pythonpath
RUN pip install --no-deps --target /triqs/lib/python3.12/site-packages sparse-ir xprec
RUN pip install --no-deps --break-system-packages --target /triqs/lib/python${PYTHON_VERSION}/site-packages sparse-ir xprec

# remove source
RUN cd / && rm -rf source
16 changes: 10 additions & 6 deletions Docker/openmpi_dockerfile
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FROM --platform=linux/amd64 ubuntu:24.04 AS base
ARG LLVM=20
FROM --platform=linux/amd64 ubuntu:26.04 AS base

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ARG LLVM=22

# This platform includes dependencies for building docs
RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
Expand All @@ -16,6 +16,7 @@
debhelper \
dh-python \
g++ \
g++-16 \
gfortran \
git \
hdf5-tools \
Expand Down Expand Up @@ -90,9 +91,9 @@
# && rm -rf openmpi-4.1.5.tar.gz openmpi-4.1.5

# install sparse-ir into triqs pythonpath
RUN pip install --no-deps --target /triqs/lib/python3.12/site-packages sparse-ir xprec
RUN pip install --no-deps --break-system-packages --target /triqs/lib/python3.14/site-packages sparse-ir xprec

ENV PYTHON_VERSION=3.12 \
ENV PYTHON_VERSION=3.14 \
CC=clang-${LLVM} CXX=clang++-${LLVM} CXXFLAGS="-stdlib=libc++"
RUN update-alternatives --install /usr/bin/clang clang /usr/bin/clang-${LLVM} 60 --slave /usr/bin/clang++ clang++ /usr/bin/clang++-${LLVM} --slave /usr/bin/clang-cpp clang-cpp /usr/bin/clang-cpp-${LLVM}

Expand All @@ -102,7 +103,10 @@
ENV MKL_THREADING_LAYER=SEQUENTIAL
ENV OMPI_ALLOW_RUN_AS_ROOT=1
ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
ENV OMPI_MCA_rmaps_base_oversubscribe="yes"
# OpenMPI 5 moved mapping/oversubscribe from ORTE to PRRTE; the old
# OMPI_MCA_rmaps_base_oversubscribe is ignored and np>cores would fail with
# "not enough slots". PRRTE also fixes the concurrent-mpirun session-dir race.
ENV PRTE_MCA_rmaps_default_mapping_policy=:oversubscribe
ARG NCORES=4

# create source dirs
Expand Down Expand Up @@ -156,11 +160,11 @@
FROM base AS pkgs

# triqs
ENV CPATH=/triqs/include:/usr/include/mkl:${CPATH} \

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PATH=/triqs/bin:${PATH} \
LIBRARY_PATH=/triqs/lib:${LIBRARY_PATH} \
LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
PYTHONPATH=/triqs/lib/python3.12/site-packages:/triqs/lib/python3.12/dist-packages:${PYTHONPATH} \
PYTHONPATH=/triqs/lib/python${PYTHON_VERSION}/site-packages:/triqs/lib/python${PYTHON_VERSION}/dist-packages:${PYTHONPATH} \
CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
CTEST_OUTPUT_ON_FAILURE=1 \
Expand Down