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Support Matrix

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Supported Hardware

Minimum System Hardware Requirements

CPU CoresRAM (GB)NVMe SSD Storage (GB)GPU Count
48401 GPU from the list of Supported NVIDIA GPUs

The NVMe SSD storage requirement of 40 GB accounts for the DiffDock NIM image size plus additional space for Docker layer caching and temporary files during runtime.

Supported NVIDIA GPUs

The DiffDock NIM is configured to run on a single GPU. The following configurations have been tested. Use one of these configurations:

GPUGPU Memory (GB)MicroarchitecturePrecisionGPU Count
NVIDIA H100 80GB HBM380HopperBF161
NVIDIA H200141HopperBF161
NVIDIA A100-SXM4-80GB80AmpereBF161
NVIDIA A100-SXM4-40GB40AmpereBF161
NVIDIA L40S48Ada LovelaceBF161
NVIDIA RTX A600048AmpereBF161
NVIDIA A10G24AmpereBF161

For performance benchmarks on these GPUs, refer to Performance.

Test Locally Available Hardware

docker run --rm --runtime=nvidia --gpus 1 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 |
|=============================================================================|
+-----------------------------------------------------------------------------+