06 October 2025 6:21:50.220 PM 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: 8 The number of threads available is: 1 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124406. 0.00000 0.00000 500 123639. 1568.36 0.643818E-02 1000 124473. 1056.24 0.902672E-02 1500 124645. 947.319 0.954024E-02 2000 124701. 910.851 0.969583E-02 2500 124723. 896.445 0.975593E-02 3000 124730. 893.447 0.978828E-02 3500 124738. 888.168 0.980952E-02 4000 124741. 887.384 0.982355E-02 4500 124742. 886.930 0.983459E-02 5000 124744. 885.897 0.984233E-02 Elapsed time for main computation: 57.9446 seconds MD_OPENMP(): Normal end of execution. 06 October 2025 6:22:48.177 PM 06 October 2025 6:22:48.179 PM 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: 8 The number of threads available is: 2 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124412. 0.00000 0.00000 500 123827. 1241.63 0.527726E-02 1000 124483. 913.781 0.791582E-02 1500 124615. 829.616 0.829469E-02 2000 124689. 777.163 0.847108E-02 2500 124710. 766.840 0.855584E-02 3000 124719. 763.849 0.860933E-02 3500 124729. 759.530 0.864750E-02 4000 124736. 755.468 0.867177E-02 4500 124737. 756.838 0.869062E-02 5000 124743. 751.654 0.870433E-02 Elapsed time for main computation: 30.4092 seconds MD_OPENMP(): Normal end of execution. 06 October 2025 6:23:18.594 PM 06 October 2025 6:23:18.595 PM 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: 8 The number of threads available is: 4 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124411. 0.00000 0.00000 500 123826. 1258.53 0.541015E-02 1000 124496. 933.121 0.817723E-02 1500 124647. 838.625 0.863440E-02 2000 124701. 806.190 0.880873E-02 2500 124722. 793.369 0.886891E-02 3000 124730. 789.808 0.890594E-02 3500 124736. 785.880 0.892813E-02 4000 124740. 784.318 0.894612E-02 4500 124742. 783.650 0.895887E-02 5000 124744. 783.003 0.896860E-02 Elapsed time for main computation: 15.7865 seconds MD_OPENMP(): Normal end of execution. 06 October 2025 6:23:34.385 PM 06 October 2025 6:23:34.386 PM 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: 8 The number of threads available is: 8 Initializing positions, velocities, and accelerations. Computing initial forces and energies. 0 124425. 0.00000 0.00000 500 123753. 1446.09 0.621801E-02 1000 124488. 1107.84 0.940663E-02 1500 124658. 995.262 0.986822E-02 2000 124697. 973.682 0.100137E-01 2500 124716. 962.690 0.100740E-01 3000 124724. 960.697 0.101186E-01 3500 124730. 958.706 0.101528E-01 4000 124736. 955.725 0.101782E-01 4500 124739. 954.713 0.101972E-01 5000 124742. 953.147 0.102099E-01 Elapsed time for main computation: 13.4153 seconds MD_OPENMP(): Normal end of execution. 06 October 2025 6:23:47.804 PM