add: parallel module that will handle parallel execution of related G…

…audiMM jobs

gaudi/parallel.py

@@ -0,0 +1,52 @@
+#!/usr/bin/env python
+# -*- coding: utf-8 -*-
+
+##############
+# GaudiMM: Genetic Algorithms with Unrestricted
+# Descriptors for Intuitive Molecular Modeling
+# 
+# https://github.com/insilichem/gaudi
+#
+# Copyright 2017 Jaime Rodriguez-Guerra, Jean-Didier Marechal
+# 
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+# 
+#      http://www.apache.org/licenses/LICENSE-2.0
+# 
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+##############
+
+"""
+Helper functions to deal with parallel execution of GaudiMM jobs.abs
+
+Useful for benchmarks.
+"""
+
+from multiprocessing import Pool, cpu_count
+
+
+def run_parallel(fn, args=(), processes=None, 
+                 initializer=None, initargs=(), maxtasksperchild=1,
+                 map_timeout=9999999, map_chunksize=1, map_callback=None):
+    """
+    Create a pool instance with built-in exception handling. 
+    """
+
+    pool = Pool(processes=processes, maxtasksperchild=maxtasksperchild)
+    try:
+        pool.map_async(fn, args, chunksize=map_chunksize, 
+                       callback=map_callback).get(map_timeout)
+    except KeyboardInterrupt:
+        print('Exiting...')
+        pool.terminate()
+    except Exception as e:
+        print('An error ocurred:', type(e).__name__, e.message)
+        pool.terminate()
+    finally:
+        pool.join()