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 |
|=============================================================================|
+-----------------------------------------------------------------------------+
For more information on enumerating multi-GPU systems, please see the NVIDIA Container Toolkit’s GPU Enumeration Docs
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.
Docker log in with your NGC API key using
docker login nvcr.io --username='$oauthtoken' --password=${NGC_CLI_API_KEY}
Download the
NGC CLI tool <https://org.ngc.nvidia.com/setup/installers/cli>__ for your OS.
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
Set up your NGC CLI Tool locally (You’ll need your API key for this!):
ngc config set
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.