Restarting a GMIN run from a dump file
Revision as of 13:00, 1 October 2008 by import>Csw34
GMIN has a facility for restarting a run, as long as you have a GMIN.dump file. This means that if the job runs out of walltime, or you'd like to check if you really have found the global minimum, you can! These dump files are produced by default, every 1000 quenches. This interval can be modified by specification of the DUMPINT keyword - for example, to produce a dump file every 100 quenches:
DUMPINT 100
A shorter dump interval is recommended as system size (and therefore time/quench) increases. To restore a run, you need the RESTORE keyword. Here are two excerpts from example data files to demonstrate:
Original data file:
... DUMPINT 100 STEPS 10000 SAVE 100 ...
data file for restarted run:
... DUMPINT 100 RESTORE GMIN.dump STEPS 15000 SAVE 100 ...