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runParameterSweep.sh

runParameterSweep.sh

#!/bin/bash
# runParameterSweep.sh - Run parameter sweep with auto-incrementing CaseNo
# Generates parameter combinations and runs simulations in simulationCases/<CaseNo>/

set -euo pipefail  # Exit on error, unset variables, pipeline failures

# ============================================================
# Configuration
# ============================================================
SCRIPT_DIR="\$(cd "\$(dirname "\${BASH_SOURCE[0]}")" && pwd)"

# Source parameter parsing library
if [ -f "\${SCRIPT_DIR}/src-local/parse_params.sh" ]; then
    # shellcheck disable=SC1091
    source "\${SCRIPT_DIR}/src-local/parse_params.sh"
else
    echo "ERROR: src-local/parse_params.sh not found" >&2
    exit 1
fi

# Source sweep utilities library
if [ -f "\${SCRIPT_DIR}/src-local/sweep_utils.sh" ]; then
    # shellcheck disable=SC1091
    source "\${SCRIPT_DIR}/src-local/sweep_utils.sh"
else
    echo "ERROR: src-local/sweep_utils.sh not found" >&2
    exit 1
fi

# ============================================================
# Usage Information
# ============================================================
usage() {
    cat <<EOF
Usage: \$0 [OPTIONS] [sweep_file]

Run parameter sweep with auto-incrementing CaseNo.
Creates case folders in simulationCases/<CaseNo>/ for each parameter combination.
Cases run sequentially (one at a time).

By default, runs Stage 1 (generate restart) then Stage 2 (full simulation) for each case.

Stage Selection:
    --stage1-only        Run Stage 1 only for all cases (generate restart files)
    --stage2-only        Run Stage 2 only for all cases (requires existing restart files)
    (default)            Run Stage 1 then Stage 2 for each case

Parallelization (for Stage 2, or Stage 1 on Linux):
    --fopenmp [N]        Enable OpenMP with N threads (default: 8, Linux only)
    --mpi [N]            Enable MPI with N cores (default: 2, Stage 2 only)

Other Options:
    -n, --dry-run        Show parameter combinations without running
    -v, --verbose        Verbose output
    -c, --compile-only   Compile only, don't run simulations
    -h, --help           Show this help message

Parameter sweep file (default):
    \$0 sweep.params

If no sweep file specified, uses sweep.params from current directory.

Sweep file format:
    BASE_CONFIG=default.params
    CASE_START=1000
    CASE_END=1004
    SWEEP_Oh=0.01,0.02,0.05

CaseNo auto-increments from CASE_START for each parameter combination.

Examples:
    # Run sweep (Stage 1 + Stage 2 per case, serial)
    \$0

    # Dry run to see parameter combinations
    \$0 --dry-run

    # Run only Stage 1 for all cases (generate restart files)
    \$0 --stage1-only

    # Run only Stage 2 with MPI (assumes restart files exist)
    \$0 --stage2-only --mpi 8

    # Run full sweep with OpenMP (Linux)
    \$0 --fopenmp 4

    # Run custom sweep file
    \$0 custom_sweep.params

For more information, see README.md
EOF
}

# ============================================================
# Parse Command Line Options
# ============================================================
DRY_RUN=0
VERBOSE=0
COMPILE_ONLY=0
STAGE1_ONLY=0
STAGE2_ONLY=0
FOPENMP_ENABLED=0
FOPENMP_THREADS=8
MPI_ENABLED=0
MPI_CORES=2

while [[ \$# -gt 0 ]]; do
    case \$1 in
        -n|--dry-run)
            DRY_RUN=1
            shift
            ;;
        -v|--verbose)
            VERBOSE=1
            shift
            ;;
        -c|--compile-only)
            COMPILE_ONLY=1
            shift
            ;;
        --stage1-only)
            STAGE1_ONLY=1
            shift
            ;;
        --stage2-only)
            STAGE2_ONLY=1
            shift
            ;;
        --fopenmp)
            FOPENMP_ENABLED=1
            # Check if next arg is a number (optional thread count)
            if [[ "\${2:-}" =~ ^[0-9]+\$ ]]; then
                FOPENMP_THREADS="\$2"
                shift
            fi
            shift
            ;;
        --mpi)
            MPI_ENABLED=1
            # Check if next arg is a number (optional core count)
            if [[ "\${2:-}" =~ ^[0-9]+\$ ]]; then
                MPI_CORES="\$2"
                shift
            fi
            shift
            ;;
        -h|--help)
            usage
            exit 0
            ;;
        -*)
            echo "ERROR: Unknown option: \$1" >&2
            usage
            exit 1
            ;;
        *)
            break
            ;;
    esac
done

# ============================================================
# Validation
# ============================================================

# Check mutually exclusive stage flags
if [ \$STAGE1_ONLY -eq 1 ] && [ \$STAGE2_ONLY -eq 1 ]; then
    echo "ERROR: Cannot use both --stage1-only and --stage2-only" >&2
    exit 1
fi

# Check --mpi only with stage2
if [ \$MPI_ENABLED -eq 1 ] && [ \$STAGE1_ONLY -eq 1 ]; then
    echo "ERROR: --mpi is only valid for Stage 2 (use --stage2-only or default both-stages mode)" >&2
    exit 1
fi

# Check --mpi and --fopenmp are mutually exclusive
if [ \$MPI_ENABLED -eq 1 ] && [ \$FOPENMP_ENABLED -eq 1 ]; then
    echo "ERROR: --mpi and --fopenmp are mutually exclusive" >&2
    exit 1
fi

# ============================================================
# Determine Sweep File
# ============================================================
SWEEP_FILE="\${1:-sweep.params}"

if [ ! -f "\$SWEEP_FILE" ]; then
    echo "ERROR: Sweep file not found: \$SWEEP_FILE" >&2
    exit 1
fi

echo "========================================="
echo "Bursting Bubble - Parameter Sweep"
echo "========================================="
echo "Sweep file: \$SWEEP_FILE"
[ \$DRY_RUN -eq 1 ] && echo "Mode: Dry run (no execution)"
if [ \$STAGE1_ONLY -eq 1 ]; then
    echo "Stages: Stage 1 only (generate restart files)"
elif [ \$STAGE2_ONLY -eq 1 ]; then
    echo "Stages: Stage 2 only (full simulation)"
else
    echo "Stages: Stage 1 + Stage 2 per case"
fi
if [ \$MPI_ENABLED -eq 1 ]; then
    echo "Parallelization: MPI (\$MPI_CORES cores)"
elif [ \$FOPENMP_ENABLED -eq 1 ]; then
    echo "Parallelization: OpenMP (\$FOPENMP_THREADS threads)"
else
    echo "Parallelization: Serial"
fi
echo ""

# ============================================================
# Parse Sweep Configuration
# ============================================================
# Source the sweep file to get variables
# shellcheck disable=SC1090
source "\$SWEEP_FILE"

# Validate required variables
if [ -z "\${BASE_CONFIG:-}" ]; then
    echo "ERROR: BASE_CONFIG not defined in sweep file" >&2
    exit 1
fi

if [ ! -f "\$BASE_CONFIG" ]; then
    echo "ERROR: Base configuration file not found: \$BASE_CONFIG" >&2
    exit 1
fi

# Validate case range using shared utility
validate_case_range "\$CASE_START" "\$CASE_END" || exit 1

echo "Base configuration: \$BASE_CONFIG"
echo "Case number range: \$CASE_START to \$CASE_END"
echo ""

# ============================================================
# Extract Sweep Variables (using shared utility)
# ============================================================
extract_sweep_variables "\$SWEEP_FILE" || exit 1
print_sweep_variables
echo ""

# ============================================================
# Generate Parameter Combinations (using shared utility)
# ============================================================
setup_sweep_temp_dir || exit 1

# Generate combinations (verbose if dry-run or verbose mode)
VERBOSE_FLAG=0
if [ \$DRY_RUN -eq 1 ] || [ \$VERBOSE -eq 1 ]; then
    VERBOSE_FLAG=1
fi
generate_sweep_combinations "\$VERBOSE_FLAG" || exit 1

echo "Generated \$SWEEP_COMBINATION_COUNT parameter combinations"

# Validate combination count
validate_combination_count "\$CASE_START" "\$CASE_END" || exit 1

echo ""

# Exit if dry run
if [ \$DRY_RUN -eq 1 ]; then
    echo "Dry run complete. No simulations executed."
    exit 0
fi

# ============================================================
# Run Simulations
# ============================================================
echo "========================================="
echo "Running Simulations"
echo "========================================="

# Use parameter files from sweep generation
# SWEEP_CASE_FILES is populated by generate_sweep_combinations

# Build common flags
COMMON_FLAGS=""
if [ \$COMPILE_ONLY -eq 1 ]; then
    COMMON_FLAGS="\$COMMON_FLAGS --compile-only"
fi
if [ \$VERBOSE -eq 1 ]; then
    COMMON_FLAGS="\$COMMON_FLAGS --verbose"
fi

# Build parallelization flags
PARALLEL_FLAGS=""
if [ \$MPI_ENABLED -eq 1 ]; then
    PARALLEL_FLAGS="--mpi \$MPI_CORES"
elif [ \$FOPENMP_ENABLED -eq 1 ]; then
    PARALLEL_FLAGS="--fopenmp \$FOPENMP_THREADS"
fi

# Run simulations
echo "Running \$SWEEP_COMBINATION_COUNT simulations sequentially"
echo ""

# Initialize progress tracking
sweep_progress_init "\$SWEEP_COMBINATION_COUNT"

for param_file in "\${SWEEP_CASE_FILES[@]}"; do
    case_no=\$(grep "^CaseNo=" "\$param_file" | cut -d'=' -f2)
    echo "-----------------------------------------"
    echo "Processing Case \$case_no"
    echo "-----------------------------------------"

    if [ \$STAGE1_ONLY -eq 1 ]; then
        # Stage 1 only
        echo "Running Stage 1..."
        ./runSimulation.sh --stage1 \$COMMON_FLAGS \$PARALLEL_FLAGS "\$param_file"
    elif [ \$STAGE2_ONLY -eq 1 ]; then
        # Stage 2 only
        echo "Running Stage 2..."
        ./runSimulation.sh --stage2 \$COMMON_FLAGS \$PARALLEL_FLAGS "\$param_file"
    else
        # Both stages: Stage 1 then Stage 2
        echo "Running Stage 1..."
        ./runSimulation.sh --stage1 \$COMMON_FLAGS "\$param_file"

        echo ""
        echo "Running Stage 2..."
        ./runSimulation.sh --stage2 \$COMMON_FLAGS \$PARALLEL_FLAGS "\$param_file"
    fi

    # Update progress
    sweep_progress_update "\$case_no"
    echo ""
done

echo "========================================="
echo "Parameter Sweep Complete"
echo "========================================="
echo "Total cases: \$SWEEP_COMBINATION_COUNT"
echo "Case range: \$CASE_START to \$((CASE_START + SWEEP_COMBINATION_COUNT - 1))"
echo "Output location: simulationCases/"
echo ""