October 11 2011 12:57:55.118 PM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 1000 STEP_NUM, the number of time steps, is 400 DT, the size of each time step, is 0.100000E-03 The number of processors available is: 8 The number of threads available is: 1 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 498138. 0.00000 0.00000 40 498138. 0.515435E-01 0.172665E-10 80 498138. 0.214308 0.158865E-10 120 498137. 0.488444 0.120469E-10 160 498137. 0.874074 0.447748E-11 200 498136. 1.37137 -0.807379E-11 240 498136. 1.98056 -0.268605E-10 280 498135. 2.70191 -0.532328E-10 320 498134. 3.53576 -0.884638E-10 360 498133. 4.48247 -0.133785E-09 400 498132. 5.54248 -0.190501E-09 Elapsed time for main computation: 38.1458 seconds MD_OPENMP Normal end of execution. October 11 2011 12:58:33.361 PM October 11 2011 12:58:33.367 PM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 1000 STEP_NUM, the number of time steps, is 400 DT, the size of each time step, is 0.100000E-03 The number of processors available is: 8 The number of threads available is: 2 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 498138. 0.00000 0.00000 40 498138. 0.515435E-01 0.172726E-10 80 498138. 0.214308 0.158866E-10 120 498137. 0.488444 0.120474E-10 160 498137. 0.874074 0.448764E-11 200 498136. 1.37137 -0.806584E-11 240 498136. 1.98056 -0.268579E-10 280 498135. 2.70191 -0.532315E-10 320 498134. 3.53576 -0.884601E-10 360 498133. 4.48247 -0.133777E-09 400 498132. 5.54248 -0.190500E-09 Elapsed time for main computation: 20.0281 seconds MD_OPENMP Normal end of execution. October 11 2011 12:58:53.446 PM October 11 2011 12:58:53.448 PM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 1000 STEP_NUM, the number of time steps, is 400 DT, the size of each time step, is 0.100000E-03 The number of processors available is: 8 The number of threads available is: 4 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 498138. 0.00000 0.00000 40 498138. 0.515435E-01 0.172713E-10 80 498138. 0.214308 0.158876E-10 120 498137. 0.488444 0.120469E-10 160 498137. 0.874074 0.448718E-11 200 498136. 1.37137 -0.806654E-11 240 498136. 1.98056 -0.268570E-10 280 498135. 2.70191 -0.532293E-10 320 498134. 3.53576 -0.884583E-10 360 498133. 4.48247 -0.133776E-09 400 498132. 5.54248 -0.190496E-09 Elapsed time for main computation: 11.0945 seconds MD_OPENMP Normal end of execution. October 11 2011 12:59:04.572 PM October 11 2011 12:59:04.574 PM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 1000 STEP_NUM, the number of time steps, is 400 DT, the size of each time step, is 0.100000E-03 The number of processors available is: 8 The number of threads available is: 8 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 498138. 0.00000 0.00000 40 498138. 0.515435E-01 0.172690E-10 80 498138. 0.214308 0.158857E-10 120 498137. 0.488444 0.120457E-10 160 498137. 0.874074 0.448437E-11 200 498136. 1.37137 -0.806841E-11 240 498136. 1.98056 -0.268569E-10 280 498135. 2.70191 -0.532314E-10 320 498134. 3.53576 -0.884610E-10 360 498133. 4.48247 -0.133778E-09 400 498132. 5.54248 -0.190499E-09 Elapsed time for main computation: 7.59373 seconds MD_OPENMP Normal end of execution. October 11 2011 12:59:12.187 PM