Documentation (VF 2.0)
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  • Documentation
    • Introduction
    • General Features
    • Installation
      • Prerequisities
      • VirtualFlow 2.0
      • VFTools 2.0
      • Uninstallation
    • Backgrounds and Principles
      • Directory Structure
      • Input & Output Databases
      • Job Organization
    • Using VirtualFlow 2.0
      • VirtualFlow 2.0 Commands
      • Preparing the Workflow
      • Starting the Workflow
      • Controlling the Workflow
      • Monitoring the Workflow
      • The Completed Workflow
    • Running VirtualFlow 2.0 in the Cloud
    • Troubleshooting
    • Version History
    • Further Resources
  • VFLP 2.0
    • Introduction
    • Features
    • Installation
      • Prerequisities
      • External Packages
    • Background and Principles
      • Directory Structure
      • Input & Output Databases
    • Using VFLP 2.0
    • Troubleshooting
    • Version History
  • VFVS 2.0
    • Introduction
    • Features
    • Installation
      • External Packages
    • Background and Principles
      • Directory Structure
      • Input & Output Databases
    • Supported docking programs and scoring functions
    • Using VFVS 2.0
      • Preparing the Workflow
      • Monitoring the Workflow
      • The Completed Workflow
    • Troubleshooting
    • Version History
  • VFU 2.0
    • Introduction
    • Features
    • Installation
      • External Packages
    • Background and Principles
      • Directory Structure
      • Input & Output Databases
    • Using VFVS
      • Preparing the Workflow
      • Monitoring the Workflow
      • The Completed Workflow
    • Troubleshooting
    • Version History
  • VFTOOLS 2.0
    • Introduction
    • Installation
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  • Introduction
  • Google Cloud Platform (GCP)
  • Amazon Web Services (AWS)
  1. Documentation

Running VirtualFlow 2.0 in the Cloud

PreviousThe Completed WorkflowNextTroubleshooting

Last updated 2 years ago

Introduction

Due to its flexible architecture, VirtualFlow 2.0 is able to not only run on Linux computer clusters and supercomputers, but also runs natively on cloud computing platforms such as

  • Google Cloud Platform

  • Amazon Web Services

  • Microsoft Azure

This is due to the circumstance that VirtualFlow 2.0 operates by using SLURM resource managers, and SLURM batch systems are able to run on many cloud computing platforms as the three mentioned above.

Google Cloud Platform (GCP)

To run VirtualFlow 2.0 on the Google Cloud Platform, we recommend to use the GCP version of the Slurm resource manager, which runs out of the box on the GCP. To get started with Slurm on the GCP, we recommend the following page:

After the Slurm cluster is running on the GCP, one can use VirtualFlow 2.0 as on any other Linux cluster.

For large-scale computations using many virtual machines, a fast shared cluster file system is needed. We recommend to use either or for this purpose.

Amazon Web Services (AWS)

To run VirtualFlow 2.0 on Amazon Web Services, we recommend to use AWS ParallelCluster, which allows to employ to run the SGE, TORQE, and Slurm resource managers conventiently in on AWS. All three of them are supported by VirtualFlow 2.0, but we recommend to use Slurm, as it is most common and modern, and best supported resource manager. We recommend the following page to get started with AWS ParallelCluster.

After the Slurm cluster is running on AWS, one can use VirtualFlow 2.0 as on any other Linux cluster.

For large-scale computations using many virtual machines, a fast shared cluster file system is needed. We recommend to use for this purpose.

https://cloud.google.com/blog/products/compute/hpc-made-easy-announcing-new-features-for-slurm-on-gcp
Lustre
Elastifile
https://aws.amazon.com/blogs/opensource/aws-parallelcluster/
FSx for Lustre