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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 2: VFVS 2.0 on Slurm

Running the ATG Primary Screen

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

./vfvs_submit_jobs.py 1 500

Here we assumed that 500 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 (1 to 500) previously with the vfvs_prepare_workunits.py command.

PreviousPreparing the ATG Primary ScreenNext* Postprocessing the ATG Primary Screen

Last updated 1 year ago