Try to fix

Author: mesonepigreco

Modules/Cluster.py

@@ -1570,6 +1570,8 @@ def compute_single_jobarray(jobs_id, calc):
                 print ("Expected batch ordinary resubmissions:", num_batch_offset)
                 raise ValueError("Error, resubmissions exceeded the maximum number of %d" % self.max_recalc)
                 break
+        
+        print("CALCULATION ENDED: all properties: {}".format(ensemble.all_properties))
 
 
 
@@ -1585,10 +1587,11 @@ def compute_ensemble(self, ensemble, ase_calc, get_stress = True, timeout=None):
         """
 
         # Check if the compute_ensemble batch must be done
-        if self.job_number != 1:
-            self.compute_ensemble_batch(ensemble, ase_calc, get_stress, timeout)
-            return
+        #if self.job_number != 1:
+        self.compute_ensemble_batch(ensemble, ase_calc, get_stress, timeout)
+        return
 
+        """
         # Track the remaining configurations
         success = [False] * ensemble.N
         
@@ -1657,4 +1660,5 @@ def compute_single(num, calc):
                 print ("Expected batch ordinary resubmissions:", num_batch_offset)
                 raise ValueError("Error, resubmissions exceeded the maximum number of %d" % self.max_recalc)
                 break
+        """
 

Modules/Ensemble.py

@@ -2968,6 +2968,7 @@ def compute_ensemble(self, calculator, compute_stress = True, stress_numerical =
             self.remove_noncomputed() 
 
         if is_cluster:
+            print("BEFORE COMPUTING:", self.all_properties)
             cluster.compute_ensemble(computing_ensemble, calculator, compute_stress)
 
             print('ENSEMBLE ALL PROPERTIES:', self.all_properties)