Prerequisites#

Supported Hardware#

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.

Software Prerequisites#

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      |
|=============================================================================|
+-----------------------------------------------------------------------------+

Note

For more information on enumerating multi-GPU systems, refer to the NVIDIA Container Toolkit’s GPU Enumeration Docs

NGC (NVIDIA GPU Cloud) Account#

Create an account on NGC
Generate an API Key
Docker log in with your NGC API (enter the key as password when prompted.)

docker login nvcr.io --username='$oauthtoken'