Checkpoint and Restarting

Checkpoint Frequency

Checkpointing in Folding@Clusters has two distinct parts:

1. mdrun generating checkpoints in an interval given by the nstxout parameter in grompp.mdp.
2. The nanny checks the size of the checkpoint file. If the file has become larger, it is transferred to the mother. This check happens about every two seconds (as of 1 June 2005).