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Restarting a DPD run
At the end of a DPD run and at specified intervals during the run, DPD saves a restart data file, .Dpd_rst. This file is downloaded at the end of the run and contains the positions and velocities of all the beads. It enables you to restart the simulation from part way through or at the end of the previous DPD run.
To restart a simulation
1. Select the mesoscale trajectory document from the run you wish to restart.
2. Choose Modules | DPD | Calculation from the menu bar.
3. Load the parameters from the run you wish to restart, by double-clicking on the associated Settings file in the Project Explorer.
4. Check Restart.
5. On the Setup tab, choose whether to Reinitialize averages.
6. Change the length of the run.
Note. The time step counter is not reset between simulations. Therefore, the restarted DPD simulation will run for the Number of steps specified on the Setup tab less the number of steps already completed.
7. If desired, specify new output options, simulation conditions and interaction parameters.
8. Press Run.
Note. The Restart checkbox is enabled only if a restart file is present. However, this file cannot be seen in the Project Explorer window. You can use the Windows Explorer to verify that the file exists.
Note. When you restart a simulation you can modify some parameters such as the length of the run, output period options, simulation conditions, interaction parameters, etc. However, others, such as simulation cell size, grid spacing, cell contents, etc., must remain the same as they were before the restart. These options are disabled when Restart is checked. |
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