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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

Running the ATG Primary Screen

Now we are ready to start the jobs using the following command:

./vfvs_submit_jobs.py 1 1

Here we assumed that 1 is the number of workunits (please see the previous section on how you can obtain the correct number). The command will submit all workunits that were prepared previously with the vfvs_prepare_workunits.py command.

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Last updated 11 months ago