| # Kernel Configuration | |
| OpenDDE has a safe PyTorch path and optional GPU kernels. | |
| ## LayerNorm | |
| Default: | |
| ```bash | |
| export LAYERNORM_TYPE=torch | |
| ``` | |
| Optional CUDA LayerNorm: | |
| ```bash | |
| export LAYERNORM_TYPE=fast_layernorm | |
| ``` | |
| Use `torch` for CPU, debugging, or environments where CUDA extension compilation | |
| is unavailable. | |
| ## Triangle kernels | |
| Both triangle attention and triangle multiplication support: | |
| | Value | Meaning | | |
| | --- | --- | | |
| | `auto` | Use cuEquivariance when available, otherwise PyTorch. | | |
| | `cuequivariance` | Force cuEquivariance GPU kernels. | | |
| | `torch` | Force PyTorch fallback. | | |
| CLI flags: | |
| ```bash | |
| opendde pred \ | |
| --triatt_kernel auto \ | |
| --trimul_kernel auto | |
| ``` | |
| ## Compatibility run | |
| ```bash | |
| LAYERNORM_TYPE=torch opendde pred \ | |
| -i examples/input.json \ | |
| -o ./output \ | |
| -n opendde_v1 \ | |
| --use_msa false \ | |
| --use_template false \ | |
| --use_rna_msa false \ | |
| --triatt_kernel torch \ | |
| --trimul_kernel torch \ | |
| --sample 1 \ | |
| --step 200 \ | |
| --cycle 10 \ | |
| --dtype fp32 | |
| ``` | |