From 80515428ac9f05a29e9a4a3fc690d6df222bdaa0 Mon Sep 17 00:00:00 2001 From: Abdelsalam Date: Tue, 7 Jul 2026 19:17:26 +0300 Subject: [PATCH] actl overlay: allow mpirun as root (ENG-128) actl workspace pods run as root by convention, so OpenMPI's root guard aborts every mpirun. Bake OMPI_ALLOW_RUN_AS_ROOT(_CONFIRM)=1 into the actl stage only; base/gromacs stay unchanged since standalone runs use --user and the guard remains meaningful there. --- Dockerfile.actl | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/Dockerfile.actl b/Dockerfile.actl index 38dc8c9..f72a31f 100644 --- a/Dockerfile.actl +++ b/Dockerfile.actl @@ -26,6 +26,11 @@ ENV DEBIAN_FRONTEND=noninteractive \ MAMBA_EXE=/opt/micromamba/bin/micromamba \ CONDA_PREFIX=/opt/micromamba/envs/lunus \ PYTHONPATH=/home/dev/workspace:/opt/md-workflows \ + # actl pods run as root by convention; without these OpenMPI aborts mpirun. + # Kept out of the portable base/gromacs stages, where non-root --user runs + # are the norm and the root guard stays meaningful. + OMPI_ALLOW_RUN_AS_ROOT=1 \ + OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 \ PATH="/opt/micromamba/bin:/opt/micromamba/envs/lunus/bin:/usr/local/gromacs/bin:${PATH}" RUN apt-get update && apt-get install -y --no-install-recommends \