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  • Tutorial Overview
  • Tutorial 1: VFVS 2.0 on AWS
    • Introduction
    • Installation of VFVS
    • Setting up the ATG Prescreen
    • Starting the ATG Prescreen
    • Monitoring the ATG Prescreen
    • Postprocessing the ATG Prescreen
    • Preparing the ATG Primary Screen
    • Running the ATG Primary Screen
    • Postprocessing the ATG Primary Screen
  • Tutorial 2: VFVS 2.0 on Slurm
    • Introduction
    • Installation of VFVS
    • Setting up the ATG Prescreen
    • Starting the ATG Prescreen
    • Monitoring the ATG Prescreen
    • * Postprocessing the ATG Prescreen
    • Preparing the ATG Primary Screen
    • Running the ATG Primary Screen
    • * Postprocessing the ATG Primary Screen
    • The Completed Workflow (Update in Progress for the Python version)
      • Local installation and deployment of HPC-toolkit
      • Installing VirtualFlow2.0
      • Screening the sparse library with VirtualFlow 2.0
      • Extracting and viewing the results
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  1. Tutorial 1: VFVS 2.0 on AWS

Monitoring the ATG Prescreen

The workflow on AWS can be monitored by the following command:

./vfvs_get_status.py 

This command currently only works for AWS, but not yet the Slurm version of VFVS 2.0.

If a significant number of dockings failed, then something went wrong, and the problem needs to be resolved and the workflow prepared and run again.

The ATG Prescreen is complete when all workunits have been successfully completed.

PreviousStarting the ATG PrescreenNextPostprocessing the ATG Prescreen

Last updated 10 months ago