FEP+

System Requirements

Supported Operating Systems

All workflows that rely on Desmond are not supported on Windows or Mac platforms, they can only be run on Linux. This includes Molecular Dynamics, IFD-MD, FEP+, WaterMap, and a number of Materials Science workflows.

GPU machine learning applications such as Active Learning Glide and DeepAutoQSAR on GPU can only be run on Linux.

We support the following NVIDIA solutions:

How to configure queuing system license checking with Flexible GPU licensing

Deprecated

• Support for the Tesla M40 and M60 cards is deprecated.

Notes

• We support only the NVIDIA 'recommended / certified / production branch' Linux drivers for these cards with minimum CUDA version 12.0.

• We support NVIDIA’s Multi-Instance GPU (MIG) feature. Please make sure that MIG-enabled GPUs are being used in conjunction with a queueing system which supports this feature, see How do I make use of Multi-instance GPUs (MIG).

• 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.

• In the 2024-2 release, the "Discounted Cores" of an L4 was decreased from 7424 to 5120. This adjustment was made to align with the L4's status as a preferred card due to its widespread availability on-premises and through cloud providers. Additionally, the L4's low power consumption, speed, and sufficient memory make it suitable for running the majority of workflows in a configuration with one GPU per node.

• 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.