Stafie Alex PSI
113 lines
3.5 KiB
Bash
113 lines
3.5 KiB
Bash
#!/bin/bash
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#
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# ================================================================
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# OpenMC + Python Runner (Apptainer-based)
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# ================================================================
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# Description:
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# This script runs either:
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# (1) OpenMC directly inside an Apptainer container, or
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# (2) a Python script using the same container environment.
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#
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# Usage:
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# ./run_openmc.sh → Run OpenMC in the container
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# ./run_openmc.sh script.py args → Run Python script with args
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# ./run_openmc.sh -h | --help → Show help
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#
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# Behavior:
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# - The current working directory is mounted into /workspace inside the container.
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# - The OpenMC library directory is mounted into /libs.
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# - The output log is saved in the same directory as the run:
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# * openmc_run.log for OpenMC runs
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# * <scriptname>.log for Python runs
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#
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# Example:
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# ./run_openmc.sh # Run OpenMC normally
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# ./run_openmc.sh input.py # API can be called inside the script
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#
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# ================================================================
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# === Config ===
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# ================================================================
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# NOTE: Update SIF and LIB_DIR paths as needed !!!!!!!!!!!!!!!!!!!
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# ================================================================
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SIF="/afs/psi.ch/project/stars/workspace/RND/SB-RND-ACT-004-25/SC41/openmc/openmc_apptainer/openmc.sif"
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LIB_DIR="/afs/psi.ch/project/stars/workspace/RND/SB-RND-ACT-004-25/SC41/openmc/lib_mine"
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HOST_DIR="$(pwd)"
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CONTAINER_DIR="/workspace"
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# === Help ===
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show_help() {
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cat << EOF
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Usage: $(basename "$0") [script.py [args...]]
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Run OpenMC or a Python script inside an Apptainer container.
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Options:
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-h, --help Show this help message and exit
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Modes:
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• No arguments → Runs OpenMC inside the container
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• script.py [args...] → Runs the given Python script using py
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Examples:
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$(basename "$0") # Run OpenMC normally
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$(basename "$0") run_case.py # Run Python script
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Environment:
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Container: ${SIF}
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Host dir : ${HOST_DIR}
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Lib dir : ${LIB_DIR}
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EOF
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}
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# === Handle Help Flag ===
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if [[ "$1" == "-h" || "$1" == "--help" ]]; then
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show_help
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exit 0
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fi
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# === Mode ===
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if [ -z "$1" ]; then
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MODE="openmc"
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else
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MODE="python"
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PYTHON_SCRIPT="$1"
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shift
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fi
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# === Log File ===
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if [ "$MODE" = "openmc" ]; then
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LOG_FILE="${HOST_DIR}/openmc_run.log"
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else
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if [ ! -f "${HOST_DIR}/${PYTHON_SCRIPT}" ]; then
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echo "Error: Python script '${PYTHON_SCRIPT}' not found in ${HOST_DIR}."
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exit 1
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fi
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LOG_FILE="${HOST_DIR}/${PYTHON_SCRIPT%.*}.log"
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fi
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echo "---------------------------------------------------------------"
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echo " Running in container: ${SIF}"
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echo " Host directory : ${HOST_DIR}"
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echo " Container directory : ${CONTAINER_DIR}"
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echo " Library mount : ${LIB_DIR} -> /libs"
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echo " Log file : ${LOG_FILE}"
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echo "---------------------------------------------------------------"
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# === Exec===
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if [ "$MODE" = "openmc" ]; then
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echo ">>> Starting OpenMC run..."
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apptainer exec \
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--bind "${HOST_DIR}:${CONTAINER_DIR}" \
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--bind "${LIB_DIR}:/libs" \
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--pwd "${CONTAINER_DIR}" "${SIF}" \
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openmc | tee "${LOG_FILE}"
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else
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echo ">>> Running Python script: ${PYTHON_SCRIPT}"
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apptainer exec \
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--bind "${HOST_DIR}:${CONTAINER_DIR}" \
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--bind "${LIB_DIR}:/libs" \
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--pwd "${CONTAINER_DIR}" "${SIF}" \
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python3.11 "${CONTAINER_DIR}/${PYTHON_SCRIPT}" "$@" | tee "${LOG_FILE}"
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fi
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