License Usage per GPU
Schrödinger GPU-based products (such as Desmond, WaterMap, and FEP+) scale license usage based on the number of GPU cores on which a user is running.
In order for queuing systems to reserve the correct number of licenses, each GPU host entry must be configured to submit to one specific GPU type and have a field that specifies the number of cuda compute cores available on a single one of those GPU types. (See Table below)
| GPU Card | MIG Instance | CUDA Cores | License Usage | Notes | ||
| P100 |
|
3584 | .69 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| P40 |
|
3540 | .75 | |||
| V100 |
|
5120 | 1.00 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| T4 |
|
2560 | .50 | |||
| A100 |
|
6912 | 1.38 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| A100 |
3g |
2688 | .50 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| A100 |
2g |
1792 | .38 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| A100 |
1g |
869 | .19 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| L4 |
|
5120 | 1.00 | L4 prior to Schrödinger release 2024-2 is 7424 | ||
| H100 |
|
14592 | 2.88 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| H100 |
3g |
5888 | 1.13 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| H100 |
2g |
3840 | .75 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| H100 |
1g |
1792 | .38 | CUDA cores refer to the PCIe model (not SXM or NVL) | ||
| B200 (SXM) |
|
18944 | 3.7 | |||
| B200 (SXM) |
3g |
8960 | 1.75 | |||
| B200 (SXM) |
2g |
4608 | 0.9 | |||
| B200 (SXM) |
1g |
2304 | 0.45 | |||
| Quadro P5000 |
|
2560 | .50 | |||
| Quadro RTX 5000 |
|
3072 | .63 | |||
| Quadro RTX A5000 |
|
8192 | 1.63 | |||
| Quadro RTX A4000 |
|
6144 | 1.19 | |||
| RTX PRO 6000 Blackwell |
|
24064 | 4.7 | |||
| RTX PRO 6000 Blackwell |
2g |
12032 | 2.35 | |||
| RTX PRO 6000 Blackwell |
1g |
5888 | 1.15 |
|
Single license exception: A single Desmond, WaterMap, or FEP+ license can run on a single GPU regardless of its size.