160 gpu executors

rsopt/configuration/jobs.py

@@ -25,12 +25,15 @@ def create_executor_arguments(setup: Setup, is_parallel: bool) -> dict:
     # Really creates Executor.submit() arguments
     if is_parallel:
         args = {
-            'num_procs': setup.setup.get('cores', 1),
+            'num_procs': None if setup.setup.get('gpu', False) else setup.setup.get('cores', 1),
             'num_nodes': None,  # No user interface right now
             'procs_per_node': None, # No user interface right now
             'machinefile': None,  # Add in  setup.machinefile if user wants to control
             'app_args': setup.format_task_string(is_parallel),
             'hyperthreads': False,  # Add in  setup.hyperthreads if this is needed
+            'wait_on_start': True,
+            'auto_assign_gpus': setup.setup.get('gpu', False),
+            'match_procs_to_gpus': setup.setup.get('gpu', False),
             # 'app_name': None,  # Handled at optimizer setup
             # 'stdout': None,  # Handled at optimizer setup
             # 'stderr': None, # Handled at optimizer setup
@@ -42,6 +45,9 @@ def create_executor_arguments(setup: Setup, is_parallel: bool) -> dict:
         args = {
             'app_args': setup.format_task_string(is_parallel)
         }
+    # TODO: Should there really be this kind of hidden interface to override executor setup?
+    # for key, value in args.items():
+    #     args[key] = setup.setup.get(key, value)
 
     # Cannot be overridden
     args['calc_type'] = 'sim'

rsopt/package_data/setup_schema.yml

@@ -12,3 +12,4 @@
 - ignored_files
 - shifter_image
 - code_arguments
+- gpu

rsopt/simulation.py

@@ -154,6 +154,11 @@ def __call__(self, H, persis_info, sim_specs, libE_info):
                 # NOTE: Right now f is not passed to the objective function. Would need to go inside J. Or pass J into
                 #       function job.execute(**kwargs)
 
+            if job.executor_args.get('auto_assign_gpus'):
+                from libensemble.tools.test_support import check_gpu_setting
+                if self.log.level == logging.DEBUG:
+                    self.log.debug(check_gpu_setting(task, assert_setting=False, print_setting=True))
+
             if halt_job_sequence:
                 break