Atomizer/docs/archive/NX_SOLVER_INTEGRATION.md

# NX Solver Integration Guide

## Overview

The NX solver integration allows Atomizer to automatically run Siemens NX Nastran simulations in batch mode during optimization loops.

## Architecture

```
Optimization Loop:
1. Update parameters in .prt file → nx_updater.py
2. Run NX solver in batch mode → nx_solver.py  ← NEW!
3. Extract results from OP2 → op2_extractor_example.py
4. Evaluate objectives/constraints → runner.py
5. Optuna suggests next parameters → repeat
```

## Quick Start

### Test 1: Verify Solver Integration

```bash
conda activate test_env
python examples/test_nx_solver.py
```

This tests:
- NX installation detection
- Batch solver execution
- OP2 file generation
- Error handling

**Expected**: Solver runs and produces .op2 file in ~1-2 minutes

### Test 2: Run Optimization with Real Solver

```bash
conda activate test_env
python examples/test_optimization_with_solver.py
```

This runs 3 optimization trials with REAL simulations!

**Expected time**: ~5-10 minutes (depends on model complexity)

## Usage in Your Code

### Simple Usage (Convenience Function)

```python
from optimization_engine.nx_solver import run_nx_simulation
from pathlib import Path

sim_file = Path("path/to/model.sim")
op2_file = run_nx_simulation(
    sim_file=sim_file,
    nastran_version="2412",
    timeout=600,  # 10 minutes
    cleanup=True  # Remove temp files
)

# op2_file now contains path to results
```

### Advanced Usage (Full Control)

```python
from optimization_engine.nx_solver import NXSolver

solver = NXSolver(
    nastran_version="2412",
    timeout=600
)

result = solver.run_simulation(
    sim_file=sim_file,
    working_dir=None,  # Defaults to sim file directory
    cleanup=True
)

if result['success']:
    print(f"OP2: {result['op2_file']}")
    print(f"Time: {result['elapsed_time']:.1f}s")
else:
    print(f"Errors: {result['errors']}")
```

### Integration with Optimization Runner

```python
from optimization_engine.nx_solver import run_nx_simulation

def my_simulation_runner() -> Path:
    """Simulation runner for optimization."""
    sim_file = Path("my_model.sim")

    # Run solver
    op2_file = run_nx_simulation(
        sim_file=sim_file,
        nastran_version="2412",
        timeout=600,
        cleanup=True
    )

    return op2_file

# Use in OptimizationRunner
runner = OptimizationRunner(
    config_path=config_path,
    model_updater=my_model_updater,
    simulation_runner=my_simulation_runner,  # Uses real solver!
    result_extractors=extractors
)
```

## Configuration

### Auto-Detection

By default, NXSolver auto-detects NX installation:

```python
solver = NXSolver(nastran_version="2412")
# Searches:
# - C:/Program Files/Siemens/NX2412
# - C:/Program Files/Siemens/Simcenter3D_2412
# - C:/Program Files (x86)/Siemens/NX2412
```

### Manual Configuration

```python
from pathlib import Path

solver = NXSolver(
    nx_install_dir=Path("C:/Program Files/Siemens/NX2412"),
    nastran_version="2412",
    timeout=1200  # 20 minutes
)
```

## Solver Output Files

### Files Created
- `model.op2` - Binary results (kept)
- `model.f06` - Text output (kept)
- `model.log` - Solver log (kept)
- `model.f04` - Intermediate (cleaned up)
- `model.dat` - Intermediate (cleaned up)
- `model.diag` - Diagnostic (cleaned up)

### Cleanup Behavior

With `cleanup=True` (recommended):
- Keeps: .op2, .f06, .log
- Removes: .f04, .dat, .diag, .master, .dball, plots

With `cleanup=False`:
- Keeps all files for debugging

## Error Handling

### Common Issues

**Issue**: `FileNotFoundError: NX Nastran solver not found`

**Solution**:
- Check NX is installed at standard location
- Specify `nx_install_dir` manually
- Verify nastran.exe exists in NXNASTRAN/bin/

**Issue**: `RuntimeError: NX simulation failed`

**Solution**:
- Check .f06 file for error messages
- Verify .sim file is valid
- Check NX license is available
- Ensure model can solve in NX GUI first

**Issue**: `TimeoutExpired`

**Solution**:
- Increase `timeout` parameter
- Simplify model (fewer elements, linear analysis)
- Check solver isn't stuck (memory issues)

### Checking Solver Success

The solver checks for completion by:
1. Looking for "NORMAL TERMINATION" in .f06
2. Checking for "FATAL MESSAGE" errors
3. Verifying .op2 file was created recently

## Performance Tips

### Speed Up Optimization

1. **Reduce Model Complexity**
   - Use coarser mesh for initial exploration
   - Simplify geometry in non-critical areas
   - Use linear analysis if possible

2. **Parallel Trials (Future)**
   - Run multiple trials simultaneously
   - Requires separate working directories
   - Use Optuna's parallelization features

3. **Smart Sampling**
   - Use TPE sampler (default) for efficiency
   - Increase `n_startup_trials` for better initial sampling
   - Use constraints to avoid infeasible regions

4. **Cleanup Strategy**
   - Use `cleanup=True` to save disk space
   - Only keep .op2 and .log files
   - Archive results after optimization

### Typical Solve Times

| Model Size | Analysis Type | Time per Trial |
|------------|---------------|----------------|
| Small (<10k nodes) | Linear Static | 30-60s |
| Medium (10-50k) | Linear Static | 1-3 min |
| Large (>50k) | Linear Static | 3-10 min |
| Any | Nonlinear | 5-30 min |

## Batch Processing

For running many optimizations:

```python
# Save solver instance to reuse
solver = NXSolver(nastran_version="2412", timeout=600)

for trial_params in parameter_sets:
    # Update model
    update_nx_model(prt_file, trial_params)

    # Solve
    result = solver.run_simulation(sim_file, cleanup=True)

    if result['success']:
        # Extract and analyze
        results = extract_all_results(result['op2_file'])
```

## Troubleshooting

### Enable Debug Output

```python
solver = NXSolver(nastran_version="2412")

result = solver.run_simulation(
    sim_file=sim_file,
    cleanup=False  # Keep all files
)

# Check detailed output
print(result['errors'])

# Manually inspect files
# - Check .f06 for solver messages
# - Check .log for execution details
# - Check .f04 for input deck
```

### Verify NX Installation

```python
from optimization_engine.nx_solver import NXSolver

solver = NXSolver(nastran_version="2412")
print(f"NX Dir: {solver.nx_install_dir}")
print(f"Solver: {solver.solver_exe}")
print(f"Exists: {solver.solver_exe.exists()}")
```

## Next Steps

1. **Test solver integration**: Run `test_nx_solver.py`
2. **Test optimization loop**: Run `test_optimization_with_solver.py`
3. **Customize for your model**: Modify simulation_runner function
4. **Run real optimization**: Increase n_trials to 50-150
5. **Analyze results**: Use history.csv to understand parameter sensitivity

## Support

For issues:
1. Check this guide
2. Verify NX installation
3. Test .sim file in NX GUI first
4. Check solver logs (.f06, .log files)
5. Review error messages in result['errors']