/usr/bin/time a.out

(no optimization flags)

using linear vector:

	Time taken: 2.72s

using x,y,z vectors (independent):

	Time taken: 1.82s

using 2-vector (no iterators):

	Time taken: 26.95s

using 3-vector (no iterators):

	Time taken: 26.72s

using 3-array (no iterators):

	Time taken: 2.26s

using 3-array (old [new] 3-array):

	Time taken: 1.83s
	Time taken: 1.77s


(with -O4 optimization)
(with -O4 optimization)
(with -O4 optimization):

using linear vector:

	Time taken: 0.57s

using x,y,z vectors (independent):

	Time taken: 0.57s

using 3-array (no iterators):
	
	Time taken: 0.56s

using 3-array (old [new] 3-array):

	Time taken: 0.57s



(see below for details)

****

a.out

file = sasmol.cpp : function = main
compiled on Dec 27 2013 at 00:18:42 
execution time : Fri Dec 27 00:18:46 2013

program run by : curtisj
user home directory : /Users/curtisj
user shell : /bin/tcsh
working directory : /Users/curtisj/sassie_full_svn/sassie_1.0/new_modules/sasmol_cpp
hostname : Josephs-MacBook-Pro.local

testing sasmol  ubq.xyz
>>> IN CONST COOR ARRAY <<< 
nf = 1
na = 13651
N
-3.259
-5.011
-14.36
number of atoms = 13651
>>> checking for overlap (linear): cutoff = 0.8

Time taken: 2.72s
check = 0
>>> checking for overlap (3-array): cutoff = 0.8
>>> IN SELF OVERLAP ARRAY <<< 
nf = 1
na = 13651

Time taken: 2.71s
>>> checking for overlap (3-vector): cutoff = 0.8

Time taken: 26.72s
check = 0
>>> NO OVERLAP FOUND <<<
writing molecule to dcd file
c_filename = ubq.dcd
-3.259
-5.011
-14.36

 >>> DONE <<< 
