Checkpoint with rosetta3.4

Member Site Forums Rosetta 3 Rosetta 3 – Applications Checkpoint with rosetta3.4

  • This topic has 1 reply, 2 voices, and was last updated 9 years ago by Anonymous.
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    • #2088


        I would like to use checkpoints in order to restart a job if it ends because of a wall-time before he finishes.
        I tried the flags:
        -in:file:checkpoint true
        -run:checkpoint true

        But no file is generated, it doesn’t look to work.
        Anyone knows how I can use checkpoint in the docking protocol?



      • #10675

          Only certain protocols use those checkpointing flags. Most other protocols follow an output-level checkpointing approach. That is, they’ll make a list of what structures they need to output, and will skip running for structures that have already been output. So you should be able to re-start a stopped Rosetta job and it will pick up from the structure it last output. (By restart I mean rerun the exact commandline that you used to start it in the first place.) In principle this means that any work on a structure that hasn’t been output yet will have to be redone, but for most protocols this is 20-30 minutes at most, which is usually acceptable given normal running behavior.

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