4.7 Restart

If something goes wrong, you may want to continue the calculation from the point where it stopped — or from an earlier point. If all you want to do is continue the run from where it stopped, you do not need to change any settings (all information will be stored in the *.mat files) and it will be sufficient to remove the file still_reading and run USPEX again.

If you want to restart from a particular generation in a particular results-folder, then specify pickUpGen = number of the generation from which you want to start, pickUpFolder = number of results-folder (e.g., 1 for results1, 2 for results2, …) from which the restart needs to be initiated. If pickUpGen=0, then a new calculation is started. The default options for all three parameters are 0. For example, to restart a calculation performed in the folder results5 from generation number 10, specify:

10 : pickUpGen
5 : pickUpFolder