QSite
System Requirements
We support the following NVIDIA solutions:
Achritecture | Server / HPC | Workstation |
Maxwell |
Tesla M40 Tesla M60 |
|
Pascal |
Tesla P40 Tesla P100 |
Quadro P5000 |
Volta |
Tesla V100 |
|
Turing |
Tesla T4 |
Quadro RTX 5000 |
Ampere |
Tesla A100 |
RTX A4000 RTX A5000 |
Ada Lovelace |
L4 |
|
Hopper |
H100 |
|
Deprecated
-
Support for the Tesla K20, and Tesla K40 and Tesla K80 cards is deprecated. While we still expect our GPGPU codes to run, NVIDIA has deprecated support for these cards in the CUDA 11.2 toolkit.
Notes
-
We support only the NVIDIA 'recommended / certified / production branch' Linux drivers for these cards with minimum CUDA version 12.0.
-
For information on pre-configured Schrödinger compatible GPU boxes see MD Compatible Systems and FEP+ Compatible Systems.
-
Standard support does not cover consumer-level GPU cards such as GeForce GTX cards.
-
If you already have another NVIDIA GPGPU and would like to know if we have experience with it, please contact our support at help@schrodinger.com.
Larger CPU cache is recommended, especially for jobs that process large amounts of data. Increasing the L2 or L3 cache size for these jobs is more important than a small increase in CPU speed.
Distributed Phase database searches are particularly limited by contention for disk access. QSite jobs also perform a lot of IO, so faster disk access is important.