25 March 2023 10:24:49.792 AM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 500 STEP_NUM, the number of time steps, is 5000 DT, the size of each time step, is 0.100000E-01 The number of processors available is: 16 The number of threads available is: 1 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124397. 0.00000 0.00000 500 123860. 1398.71 0.692360E-02 1000 124564. 979.129 0.921394E-02 1500 124656. 927.555 0.953781E-02 2000 124708. 894.785 0.969404E-02 2500 124727. 882.474 0.974453E-02 3000 124732. 881.985 0.977778E-02 3500 124735. 881.116 0.980125E-02 4000 124742. 876.265 0.981795E-02 4500 124744. 876.563 0.983023E-02 5000 124747. 874.168 0.983880E-02 Elapsed time for main computation: 53.5648 seconds MD_OPENMP Normal end of execution. 25 March 2023 10:25:43.372 AM 25 March 2023 10:25:43.374 AM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 500 STEP_NUM, the number of time steps, is 5000 DT, the size of each time step, is 0.100000E-01 The number of processors available is: 16 The number of threads available is: 2 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124411. 0.00000 0.00000 500 123979. 1119.81 0.553098E-02 1000 124425. 996.057 0.811809E-02 1500 124640. 860.687 0.876254E-02 2000 124698. 819.418 0.889817E-02 2500 124716. 811.199 0.897275E-02 3000 124725. 807.246 0.901651E-02 3500 124728. 808.710 0.905257E-02 4000 124737. 803.013 0.907642E-02 4500 124739. 802.981 0.909323E-02 5000 124742. 801.290 0.910718E-02 Elapsed time for main computation: 26.8689 seconds MD_OPENMP Normal end of execution. 25 March 2023 10:26:10.248 AM 25 March 2023 10:26:10.250 AM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 500 STEP_NUM, the number of time steps, is 5000 DT, the size of each time step, is 0.100000E-01 The number of processors available is: 16 The number of threads available is: 4 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124434. 0.00000 0.00000 500 123802. 1280.96 0.521264E-02 1000 124494. 879.269 0.755256E-02 1500 124659. 769.564 0.798988E-02 2000 124694. 749.020 0.811351E-02 2500 124712. 739.995 0.818601E-02 3000 124723. 735.645 0.823445E-02 3500 124731. 731.075 0.826479E-02 4000 124737. 727.526 0.828426E-02 4500 124740. 726.943 0.830114E-02 5000 124742. 726.297 0.831442E-02 Elapsed time for main computation: 13.5363 seconds MD_OPENMP Normal end of execution. 25 March 2023 10:26:23.789 AM 25 March 2023 10:26:23.791 AM MD_OPENMP FORTRAN90/OpenMP version A molecular dynamics program. NP, the number of particles in the simulation is 500 STEP_NUM, the number of time steps, is 5000 DT, the size of each time step, is 0.100000E-01 The number of processors available is: 16 The number of threads available is: 8 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124417. 0.00000 0.00000 500 123815. 1423.64 0.660768E-02 1000 124560. 996.726 0.916396E-02 1500 124671. 925.605 0.948214E-02 2000 124709. 904.163 0.961526E-02 2500 124722. 898.201 0.967623E-02 3000 124731. 893.612 0.971050E-02 3500 124738. 889.575 0.973121E-02 4000 124741. 888.047 0.974655E-02 4500 124743. 888.397 0.975888E-02 5000 124744. 888.025 0.976784E-02 Elapsed time for main computation: 14.6195 seconds MD_OPENMP Normal end of execution. 25 March 2023 10:26:38.414 AM