8ee031342a
- environment.yml: Added PyTorch with CUDA 12.1, PyG (torch-geometric), and TensorBoard for neural network training - INSTALL_INSTRUCTIONS.md: Step-by-step guide for installing Miniconda and setting up the Atomizer environment 🤖 Generated with [Claude Code](https://claude.com/claude-code) Co-Authored-By: Claude <noreply@anthropic.com>
64 lines
1.8 KiB
Markdown
64 lines
1.8 KiB
Markdown
# Atomizer Installation Guide
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## Step 1: Install Miniconda (Recommended)
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1. Download Miniconda from: https://docs.conda.io/en/latest/miniconda.html
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- Choose: **Miniconda3 Windows 64-bit**
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2. Run the installer:
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- Check "Add Miniconda3 to my PATH environment variable"
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- Check "Register Miniconda3 as my default Python"
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3. Restart your terminal/VSCode after installation
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## Step 2: Create Atomizer Environment
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Open **Anaconda Prompt** (or any terminal after restart) and run:
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```bash
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cd C:\Users\Antoine\Atomizer
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conda env create -f environment.yml
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conda activate atomizer
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```
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## Step 3: Install PyTorch with GPU Support (Optional but Recommended)
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If you have an NVIDIA GPU:
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```bash
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conda activate atomizer
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pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu121
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pip install torch-geometric
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```
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## Step 4: Verify Installation
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```bash
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conda activate atomizer
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python -c "import torch; import optuna; import pyNastran; print('All imports OK!')"
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python -c "import torch; print(f'CUDA available: {torch.cuda.is_available()}')"
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```
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## Step 5: Train Neural Network
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```bash
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conda activate atomizer
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cd C:\Users\Antoine\Atomizer\atomizer-field
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python train_parametric.py --train_dir ../atomizer_field_training_data/bracket_stiffness_optimization_atomizerfield --epochs 100 --output_dir runs/bracket_model
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```
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## Quick Commands Reference
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```bash
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# Activate environment (do this every time you open a new terminal)
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conda activate atomizer
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# Train neural network
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cd C:\Users\Antoine\Atomizer\atomizer-field
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python train_parametric.py --train_dir ../atomizer_field_training_data/bracket_stiffness_optimization_atomizerfield --epochs 100
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# Run optimization with neural acceleration
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cd C:\Users\Antoine\Atomizer\studies\bracket_stiffness_optimization_atomizerfield
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python run_optimization.py --run --trials 100 --enable-nn
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```
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