FireWorks ToDo List

FW Docs

  • describe passing of information as being like ‘ports’

  • describe how to pause jobs. (defuse them, and then when ‘refusing’ them you need to just set the state to ‘WAITING’ and then refresh the workflow).

  • explain early on (first tutorial) that the FireServer and FireWorker are decoupled.

  • Note: reserved spec keywords:
    • _tasks - a list of FireTasks to run
    • _priority - the priority of the FW
    • _dupefinder - a DupeFinder object, for avoiding duplicates
    • _queueparams - values of the QueueParams dict to override
  • Show to use RocketLauncher to run a particular fw_id (probably in the priorities tutorial)

Major Features

  • Add a checkpoint/restart function
  • Allow the server to submit jobs to workers (maybe using ssh-commands?)
  • Put all worker config files in a central location
  • More and better unit tests, e.g. unit tests of scripts
  • When running a FireTask, ping the LaunchPad every once in awhile to know that all is OK...

FireTasks

  • Something to commit data to MongoDB
  • Maybe a GridFS file storage task
  • File movement tasks?

Misc.

  • Allow FireWorks to block ports so that a parent job cannot override a setting. Maybe this is not needed?
  • Standard setup instructures for big supercomputing facilities - NERSC. Teragrid, etc (e.g. things like module load Python/2.7, also virtualenv)
  • Install using pip only, not Github devleopers! Package the tutorial separately.
  • Add a prerequisites section/page. In particular mention that this is not for Windows. Say you run on 32-bit and 64-bit architectures.
  • <INSTALL_DIR> is only installation from the perspective the the “develop” command to setup.py, which users won’t think of as installation. Maybe clarify.

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