4.6. Changing Target Machine¶
In most of the examples in EnsembleMD, you will see that the script is pre-configured to run locally on your machine. In order to change the target, you would need to edit the resource handle (SingleClusterEnvironment) alone.
You may find the script containing the resource handle as follows:
cluster = SingleClusterEnvironment( resource="localhost", cores=1, walltime=15, username=None, project=None, database_name="mongod:mymongodburl" #Can be skipped if using ENV variable )
To change the target to a machine with a label
XYZ.new_machine, the resource handle may look like:
cluster = SingleClusterEnvironment( resource="XYZ.new_machine", cores=<specify the no. of cores to be acquired>, walltime=<specify the duration of the acquisition>, username=<set username to access new_machine>, project=<set allocation id for new_machine>, database_name="mongod:mymongodburl" #Can be skipped if using ENV variable )