Fixed multiprocessing bug whereby queue gets out-of-order by returnin…

…g order index with each process

symmer/process_handler.py

@@ -63,24 +63,27 @@ def _process_mp(self, func, iter, shared):
         if self.verbose:
             print(f'*** executing in multiprocessing mode ***')
         # wrapper function for putting results into queue
-        def _func(iter, shared, _queue=None):
+        def _func(iter, shared, _order=None, _queue=None):
             data_out = func(iter, shared)
-            _queue.put(data_out)
+            _queue.put((_order, data_out))
 
         chunks = list(self.prepare_chunks(iter))
         procs = [] # for storing processes
         queue = Queue(self.n_chunks) # storage of data from processes
-        for chunk in chunks:
-            proc = Process(target=_func, args=(chunk, shared, queue))
+        for index,chunk in enumerate(chunks): # index to ensure procs returned in correct order
+            proc = Process(target=_func, args=(chunk, shared, index, queue))
             procs.append(proc)
             proc.start()
         # retrieve data from the queue
         data = []
         for _ in range(self.n_chunks):
-            data += queue.get()
+            data.append(queue.get())
         # complete the processes
         for proc in procs:
             proc.join()
+        # sort by correct chunk ordering and flatten data
+        _,data = zip(*sorted(data))
+        data = [a for b in data for a in b]
         return data
 
     def _process_single(self, func, iter, shared):