Timing in seconds for MbCO + 3830 water molecules (14026 atoms), 1000 steps 12-14 A shift on a TERRA 2000

Nodes             1        16    

                                  
E ext        23659.6     1259.7   
E int          228.2       59.5        
Wait             0.0       17.2   
Comm             0.2      221.6       
List          1181.9       91.3      
Integ          182.0        9.0      
Total        25251.9     1658.3   
Total(hours)     7.01       0.46 
Eff            100.0%      95.2%  
Speedup          1.0       15.2

E ext :  External energy terms (electrostatics + Lenard-Jones)
E int :  Internal energy terms (bond, angle, dihedral)
Wait  :  Load unbalance
Comm  :  Communication time (Vector Distr. Global {Sum,Brdcst})
List  :  Nonbond list generation time
Integ :  Time needed to integrate equations of motion
Total :  Total elapsed time
Eff   :  Efficiency = speedup divided by number of nodes
Speedup: Time for N nodes divided by time for one node.

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