Updating for libEnsemble v0.9.0

API change review

• Move scheduler options to libE_specs.

• BalsamMPIExecutor -> LegacyBalsamMPIExecutor

• Feature/balsam7 #729

• exit_criteria elapsed_wallclock_time -> wallclock_max

  • Feature/new wallclock term test #750 (with a deprecation warning)

• Many changes in default libEnsemble field names to align with sim/gen wording.

The following crosswalk can help any users with gens/sims/allocs using these fields in H

• last_gen_time/gen_time -> gen_ended_time
• given -> sim_started
• given_time -> sim_started_time
• returned -> sim_ended
• returned_time -> sim_ended_time
• given_back -> gen_informed
• gen_back_time -> gen_informed_time

Also, we have added gen_start_time as this would be needed (for example) to cancel long-running gens. (It is available in libE_info.)

Moved example functions

The following examples have been moved to the new community examples repository. If importing from libEnsemble repository, you will need to point to the new location.

• ddmd: Molecular-Dynamics / Machine-Learning adaptive simulation loop based on DeepDriveMD.
• vtmop: A robust, portable solver and a flexible framework for solving MOPs.
• deap/nsga2: DEAP evolutionary algorithms.

Find these at: https://github.com/Libensemble/libe-community-examples

API additions

• funcX - launch remote user functions.
• BalsamExecutor - submit remote user applications.
• Added match_slots scheduler option.
• PersistentSupport recv and have blocking argument (default is True)
• Added partial support for concurrent/futures interface. (cancel(), cancelled(), done(), running(), result(), exception() and context manager)