Adjusting forces to use 'user' fields

Libensemble · Oct 31, 2019 · 559f795 · 559f795
1 parent c81ad46
commit 559f795
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Showing 3 changed files with 27 additions and 25 deletions.
diff --git a/libensemble/libE.py b/libensemble/libE.py
@@ -29,7 +29,7 @@
 # To change logging level for just this module
 # logger.setLevel(logging.DEBUG)
 
-allowed_sim_spec_keys = ['sim_f', 'in', 'out', 'sim_dir', 'sim_dir_prefix', 'clean_jobs', 'save_every_k', 'user']
+allowed_sim_spec_keys = ['sim_f', 'in', 'out', 'sim_dir', 'sim_dir_prefix', 'clean_jobs', 'save_every_k', 'profile', 'user']
 allowed_gen_spec_keys = ['gen_f', 'in', 'out', 'save_every_k', 'user']
 allowed_alloc_spec_keys = ['alloc_f', 'in', 'out', 'user']
 

diff --git a/libensemble/tests/scaling_tests/forces/forces_simf.py b/libensemble/tests/scaling_tests/forces/forces_simf.py
@@ -45,17 +45,17 @@ def run_forces(x, persis_info, sim_specs, libE_info):
 
     calc_status = 0  # Returns to worker
 
-    simdir_basename = sim_specs['simdir_basename']
-    # cores           = sim_specs['cores']
-    keys = sim_specs['keys']
-    sim_particles = sim_specs['sim_particles']
-    sim_timesteps = sim_specs['sim_timesteps']
-    time_limit = sim_specs['sim_kill_minutes'] * 60.0
+    simdir_basename = sim_specs['user']['simdir_basename']
+    # cores           = sim_specs['user']['cores']
+    keys = sim_specs['user']['keys']
+    sim_particles = sim_specs['user']['sim_particles']
+    sim_timesteps = sim_specs['user']['sim_timesteps']
+    time_limit = sim_specs['user']['sim_kill_minutes'] * 60.0
 
     # Get from dictionary if key exists, else return default (e.g. 0)
-    cores = sim_specs.get('cores', None)
-    kill_rate = sim_specs.get('kill_rate', 0)
-    particle_variance = sim_specs.get('particle_variance', 0)
+    cores = sim_specs['user'].get('cores', None)
+    kill_rate = sim_specs['user'].get('kill_rate', 0)
+    particle_variance = sim_specs['user'].get('particle_variance', 0)
 
     # Composing variable names and x values to set up simulation
     # arguments = []

diff --git a/libensemble/tests/scaling_tests/forces/run_libe_forces.py b/libensemble/tests/scaling_tests/forces/run_libe_forces.py
@@ -69,30 +69,32 @@
 sim_specs = {'sim_f': run_forces,         # Function whose output is being minimized
              'in': ['x'],                 # Name of input data structure for sim func
              'out': [('energy', float)],  # Output from sim func
-             'keys': ['seed'],            # Key/keys for input data
              'sim_dir': './sim',          # Sim dir to be copied for each worker
-             'sim_dir_suffix': 'test',    # Suffix for copied sim dirs (to ID run)
              'profile': False,            # Don't have libE profile run
-             'simdir_basename': 'force',  # Used by sim_f to name sim directories
-             'cores': 2,                  # Used by sim_f to set number of cores used
-             'sim_particles': 1e3,        # Used by sim_f for number of particles
-             'sim_timesteps': 5,          # Used by sim_f for number of timesteps
-             'sim_kill_minutes': 10.0,    # Used by sim_f to set max run time
-             'particle_variance': 0.2,    # Used by sim_f to vary load imbalance
-             'kill_rate': 0.5,            # Fraction of bad sim_f evals (tests kills)
+             'user': {'sim_dir_suffix': 'test',    # Suffix for copied sim dirs (to ID run)
+                      'simdir_basename': 'force',  # Used by sim_f to name sim directories
+                      'keys': ['seed'],            # Key/keys for input data
+                      'cores': 2,                  # Used by sim_f to set number of cores used
+                      'sim_particles': 1e3,        # Used by sim_f for number of particles
+                      'sim_timesteps': 5,          # Used by sim_f for number of timesteps
+                      'sim_kill_minutes': 10.0,    # Used by sim_f to set max run time
+                      'particle_variance': 0.2,    # Used by sim_f to vary load imbalance
+                      'kill_rate': 0.5,            # Fraction of bad sim_f evals (tests kills)
+                      }
              }
 # end_sim_specs_rst_tag
 
 # State the generating function, its arguments, output, and necessary parameters.
 gen_specs = {'gen_f': uniform_random_sample,  # Generator function
              'in': ['sim_id'],                # Generator input
              'out': [('x', float, (1,))],     # Name, type and size of data produced (must match sim_specs 'in')
-             'lb': np.array([0]),             # Lower bound for random sample array (1D)
-             'ub': np.array([32767]),         # Upper bound for random sample array (1D)
-             'gen_batch_size': 1000,          # How many random samples to generate in one call
-             'batch_mode': True,              # If true wait for sims to process before generate more
-             'num_active_gens': 1,            # Only one active generator at a time.
-             'save_every_k': 1000             # Save every K steps
+             'save_every_k': 1000,             # Save every K steps
+             'user': {'lb': np.array([0]),             # Lower bound for random sample array (1D)
+                      'ub': np.array([32767]),         # Upper bound for random sample array (1D)
+                      'gen_batch_size': 1000,          # How many random samples to generate in one call
+                      'batch_mode': True,              # If true wait for sims to process before generate more
+                      'num_active_gens': 1,            # Only one active generator at a time.
+                      }
              }
 
 # Maximum number of simulations