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Can I continue if the TDDFT task is suddenly interrupted?

Elk Users
2022-03-23
2022-03-24
  • zhaobo zhou

    zhaobo zhou - 2022-03-23

    Dear all,

    I want to know if the task can be continued when the task is interrupted. What parameter should I set.

    Best regards,
    Zhaobo

     
  • Mohamed Elhanoty

    Dear Zhaobo,
    yes, just run task 461

     
    • zhaobo zhou

      zhaobo zhou - 2022-03-24

      Dear Mohamed,
      Thank you for your reply. Does that mean I can just added the task 461 in elk.in and run directly. e.g.
      before interruption:
      Task
      460
      after interruption:
      Task
      460
      461

      PS. Do all tasks can be continued using task 461?

       
  • Sangeeta Sharma

    Sangeeta Sharma - 2022-03-24

    Dear Zhou,

    if you want to restart TDDFT run you use:
    tasks
    461

    and run the code. task 460 starts from t=0 and 461 starts from where ever your job ended.

     
    • zhaobo zhou

      zhaobo zhou - 2022-03-24

      Dear Sangeeta,

      Thank you for your reply.

       

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