13 March 2012 2:49:07.738 PM MD FORTRAN77 version A molecular dynamics program. NP, the number of particles in the simulation, is 1000 ND, the spatial dimension, is 3 STEP_NUM, the number of time steps, is 400 DT, the size of each time step, is 0.100000E-03 Initializing positions, velocities, and accelerations. Computing initial forces and energies. At each step, we report the potential and kinetic energies. The sum of these energies should be a constant. As an accuracy check, we also print the relative error in the total energy. Step Potential Kinetic (P+K-E0)/E0 Energy P Energy K Relative Energy Error 0 498159. 0.00000 0.00000 40 498159. 0.484486E-01 0.162444E-10 80 498159. 0.201438 0.150883E-10 120 498159. 0.459101 0.118849E-10 160 498159. 0.821542 0.556827E-11 200 498158. 1.28890 -0.490248E-11 240 498158. 1.86137 -0.205635E-10 280 498157. 2.53918 -0.424372E-10 320 498156. 3.32259 -0.715900E-10 360 498155. 4.21191 -0.109053E-09 400 498154. 5.20750 -0.155740E-09 Elapsed cpu time for main computation: 40.0441 seconds MD: Normal end of execution. 13 March 2012 2:49:47.883 PM