09 May 2025 9:17:33.763 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 124404. 0.00000 0.00000 500 123802. 1323.07 0.579513E-02 1000 124504. 1003.50 0.887609E-02 1500 124642. 920.435 0.931094E-02 2000 124686. 897.723 0.948675E-02 2500 124710. 885.140 0.957692E-02 3000 124727. 875.383 0.963201E-02 3500 124736. 869.687 0.966244E-02 4000 124739. 869.546 0.968398E-02 4500 124744. 866.245 0.969747E-02 5000 124745. 866.460 0.970632E-02 Elapsed time for main computation: 57.2997 seconds MD_OPENMP(): Normal end of execution. 09 May 2025 9:18:31.074 PM 09 May 2025 9:18:31.076 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 124390. 0.00000 0.00000 500 123867. 1195.47 0.540474E-02 1000 124527. 939.910 0.865954E-02 1500 124637. 876.607 0.903581E-02 2000 124698. 832.063 0.916972E-02 2500 124716. 822.957 0.923822E-02 3000 124720. 825.820 0.929301E-02 3500 124726. 823.251 0.932432E-02 4000 124732. 821.235 0.935044E-02 4500 124737. 817.759 0.936864E-02 5000 124741. 815.614 0.938146E-02 Elapsed time for main computation: 29.7615 seconds MD_OPENMP(): Normal end of execution. 09 May 2025 9:19:00.844 PM 09 May 2025 9:19:00.845 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 123822. 1332.41 0.597565E-02 1000 124397. 1150.32 0.913600E-02 1500 124667. 946.258 0.966325E-02 2000 124715. 911.809 0.977142E-02 2500 124725. 906.772 0.981551E-02 3000 124733. 902.618 0.984362E-02 3500 124737. 900.874 0.986176E-02 4000 124740. 899.038 0.987562E-02 4500 124743. 897.887 0.988640E-02 5000 124742. 899.725 0.989539E-02 Elapsed time for main computation: 15.4844 seconds MD_OPENMP(): Normal end of execution. 09 May 2025 9:19:16.333 PM 09 May 2025 9:19:16.334 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 124404. 0.00000 0.00000 500 123857. 1243.01 0.559273E-02 1000 124395. 1106.07 0.881811E-02 1500 124651. 915.216 0.933803E-02 2000 124697. 887.346 0.948772E-02 2500 124715. 878.617 0.956052E-02 3000 124725. 874.313 0.960296E-02 3500 124735. 868.166 0.963422E-02 4000 124740. 865.114 0.965363E-02 4500 124742. 864.715 0.966630E-02 5000 124744. 864.594 0.967708E-02 Elapsed time for main computation: 13.2000 seconds MD_OPENMP(): Normal end of execution. 09 May 2025 9:19:29.536 PM