Prerequisites#

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

Supported Hardware#

The MolMIM NIM is configured to run on a single GPU. The minimum GPU memory requirement for the MolMIM NIM is 3GB. The MolMIM NIM should run on any NVIDIA GPU that meets this minimum hardware requirement and has compute capability >7.0. The MolMIM NIM also requires at least 50GB of free hard drive space.

NGC (NVIDIA GPU Cloud) Account#

  1. Create an account on NGC

  2. Generate an API Key

  3. Docker log in with your NGC API key using docker login nvcr.io --username='$oauthtoken' --password=${NGC_CLI_API_KEY}

NGC CLI Tool#

  1. Download the NGC CLI tool <https://org.ngc.nvidia.com/setup/installers/cli>__ for your OS.

Important

Use NGC CLI version 3.41.1 or newer. Here is the command to install this on AMD64 Linux in your home directory:

wget --content-disposition https://api.ngc.nvidia.com/v2/resources/nvidia/ngc-apps/ngc_cli/versions/3.41.3/files/ngccli_linux.zip -O ~/ngccli_linux.zip && \
unzip ~/ngccli_linux.zip -d ~/ngc && \
chmod u+x ~/ngc/ngc-cli/ngc && \
echo "export PATH=\"\$PATH:~/ngc/ngc-cli\"" >> ~/.bash_profile && source ~/.bash_profile

  1. Set up your NGC CLI Tool locally (You’ll need your API key for this!):

ngc config set

Note

After you enter your API key, you may see multiple options for the org and team. Select as desired or hit enter to accept the default.

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