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.

 

Learn more: Configure queuing system license checking with flexible GPU licensing