• Toolkit Version 2024.2
    • 2024.2 Highlights
      • OEToolkits 2024.2.1
      • OEToolkits 2024.2.0
    • Detailed Release Notes 2024.2
      • Bioisostere TK 4.1.0
      • OEChem TK 4.1.1.1
      • OEChem TK 4.1.1.0
      • OEPlatform TK 4.1.1
      • OEBio TK 4.1.1
      • OEDepict TK 2.5.5
      • OEDocking TK 4.3.2
      • Eon TK 3.1.0
      • FastROCS TK 2.2.7
      • Grapheme TK 1.5.2
      • GraphSim TK 2.6.1
      • Lexichem TK 2.9.2
      • OEMedChem TK 1.2.3
      • MolProp TK 2.6.5
      • OEFF TK 2.8.0
      • Omega TK 6.0.0
      • Quacpac TK 2.2.5
      • Shape TK 3.7.0
      • SiteHopper TK 2.1.1
      • Spicoli TK 1.6.1
      • Spruce TK 1.6.1.1
      • Spruce TK 1.6.1
      • Szmap TK 1.7.1
      • Szybki TK 2.8.0
      • Zap TK 2.5.0
    • Recent Release History
      • OEToolkits 2024.1
      • OEToolkits 2023.2
      • OEToolkits 2023.1
      • Release Highlights 2022.2
    • Previous Release History
      • Release Highlights 2022.1
      • Release Highlights 2021.2
      • Release Highlights 2021.1
      • Release Highlights 2020.2
      • Release Highlights 2020.1
      • OEToolkits 2019.Oct
      • OEToolkits 2019.Apr
      • OEToolkits 2018.Oct
      • OEToolkits 2018.Feb
      • OEToolkits 2017.Oct
      • OEToolkits 2017.Jun
      • OEToolkits 2017.Feb
      • OEToolkits 2016.Oct
      • OEToolkits 2016.Jun
      • OEToolkits 2016.Feb
      • OEToolkits 2015.Oct
      • OEToolkits 2015.Jun
      • OEToolkits 2015.Feb
      • OEToolkits 2014.Oct
      • OEToolkits 2014.Jun
      • OEToolkits 2014.Feb
      • OEToolkits 2013.Oct
      • OEToolkits 2013.Jun
      • OEToolkits 2013.Feb
      • OEToolkits 2012.Oct
      • OEToolkits 2012.Jun
      • OEToolkits 2012.Feb
      • OEToolkits 2011.Oct
      • OEToolkits 2011.1
      • OEToolkits 1.7.4
      • OEToolkits 1.7.2
      • OEToolkits 1.7.1
      • OEToolkits 1.7.0
  • Introduction
    • Toolkit API
    • Release Cycle
  • Getting Started with OpenEye Python
    • License for OpenEye Toolkits
    • Installation
      • Prerequisites
      • GPU Prerequisites
      • GPU-Related Requirements
      • Installing Python on macOS and Linux
      • Linux & macOS
      • Windows
      • Uninstallation
    • How to Develop with the OpenEye Python Toolkit in PyCharm
      • Create a New Project
      • Adding the OpenEye Python Toolkit to Your Project as a Package
      • Adding a module to your project
    • How to Import the Toolkits
    • Legal Notices
      • Copyright and Trademarks
      • Sample Code
      • Citation
      • Technology Licensing
  • Informatics and Modeling Toolkits
    • OEChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Bioisostere TK
      • Theory
      • Bioisostere Examples
      • API
      • Release History
    • OEDepict TK
      • Introduction
      • Theory
      • Examples
      • API
      • Appendices
      • Release History
    • OEDocking TK
      • Introduction
      • Theory
      • OEDocking Examples
      • OEModels Examples
      • API
      • Release History
    • Eon TK
      • Introduction
      • Theory
      • Eon Examples
      • API
      • Release History
    • FastROCS™ TK
      • Introduction
      • FastROCS vs ROCS
      • Installation
      • FastROCS Architecture
      • Examples
      • Tutorials
      • API
      • Release History
    • OEFF TK
      • Theory
      • OEFF Examples
      • OEFF API
      • Release History
    • Grapheme™ TK
      • Introduction
      • Theory
      • Examples
      • Preliminary API
      • API
      • Release History
    • GraphSim TK
      • Introduction
      • Theory
      • GPU Fast Fingerprints
      • Examples
      • API
      • Release History
    • Lexichem TK
      • Theory
      • Examples
      • API
      • Release History
    • OEMedChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • MolProp TK
      • Theory
      • Examples
      • API
      • Release History
    • Omega TK
      • Theory
      • GPU-Omega
      • OMEGA Examples
      • API
      • Preliminary API
      • Release History
    • Quacpac TK
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
    • Shape TK
      • Theory
      • Examples
      • API
      • Deprecated API
      • Release History
    • SiteHopper TK
      • Introduction
      • GPU-Related Requirements
      • Examples
      • Preliminary OESiteHopper API
      • Release History
    • Spicoli TK
      • Theory
      • API
      • Release History
    • Spruce TK
      • Introduction
      • Theory
      • Iridium
      • Examples
      • OESpruce API
      • Release History
    • Szmap TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Szybki TK
      • Introduction
      • Theory
      • API
      • Preliminary API
      • Examples: Working with Szybki TK
      • Release History
    • Zap TK
      • Theory and Examples
      • API
      • Release History
  • OpenEye Glossary of Terms
  • Bibliography
Toolkits--python
  • All OpenEye Documentation »
  • Contents »
  • Informatics and Modeling Toolkits »
  • Sitehopper Toolkit 2.1.1.1 »
  • GPU-Related Requirements

GPU-Related Requirements¶

The following is required in order to use GPU-accelerated OpenEye toolkits and applications:

Supported Platforms¶

CUDA-enabled OpenEye software is only available on supported Linux platforms. For supported Linux platforms see above and/or the Platform Support Page

Supported GPUs¶

An NVIDIA Tesla, Quadro, or GeForce GPU with a compute capability of 3.5 or higher is required on your system. For a comprehensive table of which GPUs fall into which compute capability category please refer to the CUDA wikipedia page.

NVIDIA Drivers¶

  • Minimum NVIDIA Driver version: 450.x.

  • CUDA is not required to be installed.

We recommend driver 450.80.02 and we strongly advise manually downloading and installing the appropriate NVidia driver for your system as opposed to using a package manager.

To install, root privilege is required. Follow these steps:

  1. Download the driver to the machine you are installing it on.

  2. chmod +x the driver package to make it executable.

  3. Ensure you have disabled X-server by killing any running sessions. Reboot may be required if X-server is still running after this step.

    Warning

    Disabling X-server requires different processes to be killed depending on your Linux distribution. See Nvidia installation guide for more details.

    Warning

    The NVidia kernel module can often conflict with the open source Nouveau display drivers depending on your specific Linux distribution. The NVidia documentation is a much more complete and up-to-date source for information on how to work around this issue. See Disabling Nouveau on the NVIDIA website.

  4. Install the driver by sudo ./NVIDIA-Linux-x86_64-450.80.02.run and follow the step-by-step installation instructions.

For more details on driver installations see the CUDA Installation Guide

Note

The output of the nvidia-smi command is extremely useful when debugging GPU issues. Please include the output from nvidia-smi in any request to support@eyesopen.com.

Performance Tuning¶

To get the most performance out of an NVIDIA Graphics card, use the persistence daemon to switch persistence mode on across all cards on the system (root privilege required):

sudo nvidia-persistenced --user foo

This will automatically enable persistence mode after reboot.

For full instructions on persistence daemon see the Persistence daemon section of the NVIDIA docs.

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© Copyright 2025, Cadence Design Systems, Inc. (Cadence). Last updated on Feb 08, 2025.