Prerequisites
The ProteinMPNN NIM is configured to run on a single GPU. The minimum GPU memory requirement for the ProteinMPNN NIM is 3GB. The ProteinMPNN NIM should run on any NVIDIA GPU that meets this minimum hardware requirement and has compute capability >7.0. The ProteinMPNN NIM also requires at least 10GB of free hard drive space.
Begin with Docker-supported operating system
Install Docker - minimum version: 23.0.1
Install NVIDIA Drivers - minimum version: 535
Install the NVIDIA Container Toolkit - minimum version: 1.13.5
Verify your container runtime supports NVIDIA GPUs by running
docker run --rm --runtime=nvidia --gpus all ubuntu nvidia-smi
Example output:
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 525.78.01 Driver Version: 525.78.01 CUDA Version: 12.0 |
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
| | | MIG M. |
|===============================+======================+======================|
| 0 NVIDIA GeForce ... Off | 00000000:01:00.0 Off | N/A |
| 41% 30C P8 1W / 260W | 2244MiB / 11264MiB | 0% Default |
| | | N/A |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes: |
| GPU GI CI PID Type Process name GPU Memory |
| ID ID Usage |
|=============================================================================|
+-----------------------------------------------------------------------------+
For more information on enumerating multi-GPU systems, please see the NVIDIA Container Toolkit’s GPU Enumeration Docs
Docker log in with your NGC API (enter the key as password when prompted.)
docker login nvcr.io --username='$oauthtoken'