LAMMPS (11 Aug 2017) Lattice spacing in x,y,z = 4.04526 4.04526 4.04526 Created orthogonal box = (0 0 0) to (40.4526 40.4526 40.4526) 1 by 1 by 1 MPI processor grid Created 4000 atoms Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 8.5 ghost atom cutoff = 8.5 binsize = 4.25, bins = 10 10 10 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 293.15 -13642.628 0 -13491.095 2445.0582 66197.142 1000 307.11901 -13488.171 0 -13329.417 1257.0872 67480.048 Loop time of 17.2896 on 1 procs for 1000 steps with 4000 atoms Performance: 4.997 ns/day, 4.803 hours/ns, 57.838 timesteps/s 55.1% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 16.9 | 16.9 | 16.9 | 0.0 | 97.75 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.064243 | 0.064243 | 0.064243 | 0.0 | 0.37 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.29247 | 0.29247 | 0.29247 | 0.0 | 1.69 Other | | 0.03302 | | | 0.19 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 339320 ave 339320 max 339320 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 339320 Ave neighs/atom = 84.83 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Setting up Verlet run ... Unit style : metal Current step : 1000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 1000 307.11901 -13488.171 0 -13329.417 1257.0872 67480.048 2000 279.63337 -13487.798 0 -13343.252 1539.0256 67447.566 Loop time of 20.1486 on 1 procs for 1000 steps with 4000 atoms Performance: 4.288 ns/day, 5.597 hours/ns, 49.631 timesteps/s 51.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 19.787 | 19.787 | 19.787 | 0.0 | 98.21 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.065119 | 0.065119 | 0.065119 | 0.0 | 0.32 Output | 1.8835e-05 | 1.8835e-05 | 1.8835e-05 | 0.0 | 0.00 Modify | 0.26664 | 0.26664 | 0.26664 | 0.0 | 1.32 Other | | 0.02987 | | | 0.15 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355603 ave 355603 max 355603 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355603 Ave neighs/atom = 88.9008 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Setting up Verlet run ... Unit style : metal Current step : 2000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 2000 279.63337 -13487.798 0 -13343.252 1539.0256 67447.566 3000 296.95964 -13492.479 0 -13338.978 -328.8007 67576.378 Loop time of 16.7241 on 1 procs for 1000 steps with 4000 atoms Performance: 5.166 ns/day, 4.646 hours/ns, 59.794 timesteps/s 68.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 14.576 | 14.576 | 14.576 | 0.0 | 98.44 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033612 | 0.033612 | 0.033612 | 0.0 | 0.23 Output | 2.0027e-05 | 2.0027e-05 | 2.0027e-05 | 0.0 | 0.00 Modify | 0.16912 | 0.16912 | 0.16912 | 0.0 | 1.14 Other | | 0.02814 | | | 0.19 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356094 ave 356094 max 356094 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356094 Ave neighs/atom = 89.0235 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Setting up Verlet run ... Unit style : metal Current step : 3000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 3000 250.99871 -13512.131 0 -13382.387 -714.64463 67440.374 4000 251.26297 -13510.151 0 -13380.27 400.60375 67367.819 Loop time of 19.2214 on 1 procs for 1000 steps with 4000 atoms Performance: 4.495 ns/day, 5.339 hours/ns, 52.025 timesteps/s 55.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 18.904 | 18.904 | 18.904 | 0.0 | 98.35 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.07363 | 0.07363 | 0.07363 | 0.0 | 0.38 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.2001 | 0.2001 | 0.2001 | 0.0 | 1.04 Other | | 0.04394 | | | 0.23 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354503 ave 354503 max 354503 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354503 Ave neighs/atom = 88.6257 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Setting up Verlet run ... Unit style : metal Current step : 4000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 4000 251.26297 -13510.151 0 -13380.27 400.60375 67367.819 5000 242.56469 -13509.155 0 -13383.77 886.33493 67326.542 Loop time of 22.1768 on 1 procs for 1000 steps with 4000 atoms Performance: 3.896 ns/day, 6.160 hours/ns, 45.092 timesteps/s 50.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 21.826 | 21.826 | 21.826 | 0.0 | 98.42 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.048141 | 0.048141 | 0.048141 | 0.0 | 0.22 Output | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 | 0.0 | 0.00 Modify | 0.26792 | 0.26792 | 0.26792 | 0.0 | 1.21 Other | | 0.03433 | | | 0.15 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355003 ave 355003 max 355003 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355003 Ave neighs/atom = 88.7507 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.568529286812, Press = 170.762499099019 Setting up Verlet run ... Unit style : metal Current step : 5000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 5000 242.56469 -13509.155 0 -13383.77 886.33493 67326.542 6000 253.09542 -13509.768 0 -13378.94 -582.08534 67448.51 Loop time of 22.6907 on 1 procs for 1000 steps with 4000 atoms Performance: 3.808 ns/day, 6.303 hours/ns, 44.071 timesteps/s 50.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 22.41 | 22.41 | 22.41 | 0.0 | 98.76 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.036084 | 0.036084 | 0.036084 | 0.0 | 0.16 Output | 3.0041e-05 | 3.0041e-05 | 3.0041e-05 | 0.0 | 0.00 Modify | 0.21036 | 0.21036 | 0.21036 | 0.0 | 0.93 Other | | 0.03414 | | | 0.15 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355355 ave 355355 max 355355 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355355 Ave neighs/atom = 88.8388 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.806417531987, Press = 6.26467331636177 Setting up Verlet run ... Unit style : metal Current step : 6000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 6000 253.09542 -13509.768 0 -13378.94 -582.08534 67448.51 7000 254.48782 -13515.59 0 -13384.042 78.702106 67364.497 Loop time of 17.9342 on 1 procs for 1000 steps with 4000 atoms Performance: 4.818 ns/day, 4.982 hours/ns, 55.759 timesteps/s 59.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 17.588 | 17.588 | 17.588 | 0.0 | 98.07 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.034561 | 0.034561 | 0.034561 | 0.0 | 0.19 Output | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 | 0.0 | 0.00 Modify | 0.28191 | 0.28191 | 0.28191 | 0.0 | 1.57 Other | | 0.02936 | | | 0.16 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354744 ave 354744 max 354744 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354744 Ave neighs/atom = 88.686 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.995780926344, Press = 9.05819603293676 Setting up Verlet run ... Unit style : metal Current step : 7000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 7000 254.48782 -13515.59 0 -13384.042 78.702106 67364.497 8000 254.72864 -13512.692 0 -13381.02 -162.66295 67404.696 Loop time of 16.6134 on 1 procs for 1000 steps with 4000 atoms Performance: 5.201 ns/day, 4.615 hours/ns, 60.193 timesteps/s 66.1% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 16.301 | 16.301 | 16.301 | 0.0 | 98.12 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035598 | 0.035598 | 0.035598 | 0.0 | 0.21 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.23007 | 0.23007 | 0.23007 | 0.0 | 1.38 Other | | 0.04622 | | | 0.28 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354999 ave 354999 max 354999 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354999 Ave neighs/atom = 88.7498 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.040727400165, Press = -5.06765629187299 Setting up Verlet run ... Unit style : metal Current step : 8000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 8000 254.72864 -13512.692 0 -13381.02 -162.66295 67404.696 9000 250.90788 -13512.865 0 -13383.168 491.43655 67340.72 Loop time of 17.586 on 1 procs for 1000 steps with 4000 atoms Performance: 4.913 ns/day, 4.885 hours/ns, 56.864 timesteps/s 61.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 17.209 | 17.209 | 17.209 | 0.0 | 97.86 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.067119 | 0.067119 | 0.067119 | 0.0 | 0.38 Output | 1.6928e-05 | 1.6928e-05 | 1.6928e-05 | 0.0 | 0.00 Modify | 0.27577 | 0.27577 | 0.27577 | 0.0 | 1.57 Other | | 0.03377 | | | 0.19 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354769 ave 354769 max 354769 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354769 Ave neighs/atom = 88.6923 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.738175038604, Press = 11.1824798929323 Setting up Verlet run ... Unit style : metal Current step : 9000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 9000 250.90788 -13512.865 0 -13383.168 491.43655 67340.72 10000 252.45172 -13515.113 0 -13384.618 -109.52517 67375.91 Loop time of 17.2542 on 1 procs for 1000 steps with 4000 atoms Performance: 5.007 ns/day, 4.793 hours/ns, 57.957 timesteps/s 64.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 17.002 | 17.002 | 17.002 | 0.0 | 98.54 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.059999 | 0.059999 | 0.059999 | 0.0 | 0.35 Output | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 | 0.0 | 0.00 Modify | 0.15855 | 0.15855 | 0.15855 | 0.0 | 0.92 Other | | 0.03358 | | | 0.19 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355243 ave 355243 max 355243 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355243 Ave neighs/atom = 88.8107 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.924566716998, Press = -5.87149125459447 Setting up Verlet run ... Unit style : metal Current step : 10000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 10000 252.45172 -13515.113 0 -13384.618 -109.52517 67375.91 11000 259.20076 -13513.18 0 -13379.196 -180.32278 67402.909 Loop time of 14.7562 on 1 procs for 1000 steps with 4000 atoms Performance: 5.855 ns/day, 4.099 hours/ns, 67.768 timesteps/s 70.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 14.489 | 14.489 | 14.489 | 0.0 | 98.19 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.056896 | 0.056896 | 0.056896 | 0.0 | 0.39 Output | 1.8835e-05 | 1.8835e-05 | 1.8835e-05 | 0.0 | 0.00 Modify | 0.16411 | 0.16411 | 0.16411 | 0.0 | 1.11 Other | | 0.04581 | | | 0.31 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354617 ave 354617 max 354617 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354617 Ave neighs/atom = 88.6543 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.791168112123, Press = 6.42805243049085 Setting up Verlet run ... Unit style : metal Current step : 11000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 11000 259.20076 -13513.18 0 -13379.196 -180.32278 67402.909 12000 251.7633 -13512.186 0 -13382.047 301.89228 67366.074 Loop time of 15.7816 on 1 procs for 1000 steps with 4000 atoms Performance: 5.475 ns/day, 4.384 hours/ns, 63.365 timesteps/s 69.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 15.535 | 15.535 | 15.535 | 0.0 | 98.44 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.048056 | 0.048056 | 0.048056 | 0.0 | 0.30 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.1666 | 0.1666 | 0.1666 | 0.0 | 1.06 Other | | 0.03147 | | | 0.20 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354903 ave 354903 max 354903 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354903 Ave neighs/atom = 88.7258 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.830088778593, Press = -0.458376516760296 Setting up Verlet run ... Unit style : metal Current step : 12000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 12000 251.7633 -13512.186 0 -13382.047 301.89228 67366.074 13000 254.51511 -13511.047 0 -13379.485 -195.41954 67412.221 Loop time of 17.7451 on 1 procs for 1000 steps with 4000 atoms Performance: 4.869 ns/day, 4.929 hours/ns, 56.353 timesteps/s 59.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 17.478 | 17.478 | 17.478 | 0.0 | 98.50 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.04604 | 0.04604 | 0.04604 | 0.0 | 0.26 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.19124 | 0.19124 | 0.19124 | 0.0 | 1.08 Other | | 0.02966 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355404 ave 355404 max 355404 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355404 Ave neighs/atom = 88.851 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.892807009345, Press = 2.5387907196238 Setting up Verlet run ... Unit style : metal Current step : 13000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 13000 254.51511 -13511.047 0 -13379.485 -195.41954 67412.221 14000 253.02061 -13514.775 0 -13383.985 571.8772 67323.244 Loop time of 16.741 on 1 procs for 1000 steps with 4000 atoms Performance: 5.161 ns/day, 4.650 hours/ns, 59.734 timesteps/s 66.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 16.458 | 16.458 | 16.458 | 0.0 | 98.31 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.069083 | 0.069083 | 0.069083 | 0.0 | 0.41 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.19624 | 0.19624 | 0.19624 | 0.0 | 1.17 Other | | 0.01792 | | | 0.11 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354840 ave 354840 max 354840 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354840 Ave neighs/atom = 88.71 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 252.949177641778, Press = 0.189745159289326 Setting up Verlet run ... Unit style : metal Current step : 14000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 14000 253.02061 -13514.775 0 -13383.985 571.8772 67323.244 15000 252.65659 -13510.399 0 -13379.798 -1346.0423 67503.702 Loop time of 17.1893 on 1 procs for 1000 steps with 4000 atoms Performance: 5.026 ns/day, 4.775 hours/ns, 58.176 timesteps/s 59.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 16.839 | 16.839 | 16.839 | 0.0 | 97.96 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.10657 | 0.10657 | 0.10657 | 0.0 | 0.62 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.22696 | 0.22696 | 0.22696 | 0.0 | 1.32 Other | | 0.0166 | | | 0.10 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355577 ave 355577 max 355577 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355577 Ave neighs/atom = 88.8942 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.100832348768, Press = 0.937695026544812 Setting up Verlet run ... Unit style : metal Current step : 15000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 15000 252.65659 -13510.399 0 -13379.798 -1346.0423 67503.702 16000 250.07706 -13513.123 0 -13383.855 1421.5004 67269.04 Loop time of 17.4996 on 1 procs for 1000 steps with 4000 atoms Performance: 4.937 ns/day, 4.861 hours/ns, 57.144 timesteps/s 62.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 17.22 | 17.22 | 17.22 | 0.0 | 98.40 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.05176 | 0.05176 | 0.05176 | 0.0 | 0.30 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.17981 | 0.17981 | 0.17981 | 0.0 | 1.03 Other | | 0.04781 | | | 0.27 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354046 ave 354046 max 354046 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354046 Ave neighs/atom = 88.5115 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.148529030097, Press = 1.64030888948633 Setting up Verlet run ... Unit style : metal Current step : 16000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 16000 250.07706 -13513.123 0 -13383.855 1421.5004 67269.04 17000 250.53693 -13508.921 0 -13379.416 -180.71229 67428.964 Loop time of 18.3008 on 1 procs for 1000 steps with 4000 atoms Performance: 4.721 ns/day, 5.084 hours/ns, 54.642 timesteps/s 59.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 18.034 | 18.034 | 18.034 | 0.0 | 98.54 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.070491 | 0.070491 | 0.070491 | 0.0 | 0.39 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.17866 | 0.17866 | 0.17866 | 0.0 | 0.98 Other | | 0.01782 | | | 0.10 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356087 ave 356087 max 356087 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356087 Ave neighs/atom = 89.0217 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.172024721228, Press = 0.550895516156675 Setting up Verlet run ... Unit style : metal Current step : 17000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 17000 250.53693 -13508.921 0 -13379.416 -180.71229 67428.964 18000 249.23305 -13513.25 0 -13384.419 499.44814 67340.892 Loop time of 17.0535 on 1 procs for 1000 steps with 4000 atoms Performance: 5.066 ns/day, 4.737 hours/ns, 58.639 timesteps/s 65.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 16.806 | 16.806 | 16.806 | 0.0 | 98.55 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035151 | 0.035151 | 0.035151 | 0.0 | 0.21 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.19422 | 0.19422 | 0.19422 | 0.0 | 1.14 Other | | 0.01785 | | | 0.10 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355126 ave 355126 max 355126 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355126 Ave neighs/atom = 88.7815 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.156305231243, Press = 0.921972330685309 Setting up Verlet run ... Unit style : metal Current step : 18000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 18000 249.23305 -13513.25 0 -13384.419 499.44814 67340.892 19000 252.872 -13512.163 0 -13381.451 -571.29006 67442.305 Loop time of 14.7485 on 1 procs for 1000 steps with 4000 atoms Performance: 5.858 ns/day, 4.097 hours/ns, 67.804 timesteps/s 74.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 14.516 | 14.516 | 14.516 | 0.0 | 98.42 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.076844 | 0.076844 | 0.076844 | 0.0 | 0.52 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.12578 | 0.12578 | 0.12578 | 0.0 | 0.85 Other | | 0.03017 | | | 0.20 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355487 ave 355487 max 355487 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355487 Ave neighs/atom = 88.8718 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.14418401538, Press = 1.27323479411191 Setting up Verlet run ... Unit style : metal Current step : 19000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 19000 252.872 -13512.163 0 -13381.451 -571.29006 67442.305 20000 248.69188 -13513.62 0 -13385.069 87.061085 67374.821 Loop time of 14.9015 on 1 procs for 1000 steps with 4000 atoms Performance: 5.798 ns/day, 4.139 hours/ns, 67.107 timesteps/s 75.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 14.7 | 14.7 | 14.7 | 0.0 | 98.65 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035693 | 0.035693 | 0.035693 | 0.0 | 0.24 Output | 2.9087e-05 | 2.9087e-05 | 2.9087e-05 | 0.0 | 0.00 Modify | 0.14728 | 0.14728 | 0.14728 | 0.0 | 0.99 Other | | 0.01813 | | | 0.12 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354886 ave 354886 max 354886 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354886 Ave neighs/atom = 88.7215 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.018510569639, Press = -0.335050609687599 Setting up Verlet run ... Unit style : metal Current step : 20000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 20000 248.69188 -13513.62 0 -13385.069 87.061085 67374.821 21000 251.38471 -13514.341 0 -13384.397 -286.59289 67400.399 Loop time of 12.2036 on 1 procs for 1000 steps with 4000 atoms Performance: 7.080 ns/day, 3.390 hours/ns, 81.943 timesteps/s 84.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.006 | 12.006 | 12.006 | 0.0 | 98.38 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032373 | 0.032373 | 0.032373 | 0.0 | 0.27 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.1486 | 0.1486 | 0.1486 | 0.0 | 1.22 Other | | 0.01696 | | | 0.14 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355544 ave 355544 max 355544 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355544 Ave neighs/atom = 88.886 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.031687872724, Press = 1.95357821813315 Setting up Verlet run ... Unit style : metal Current step : 21000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 21000 251.38471 -13514.341 0 -13384.397 -286.59289 67400.399 22000 255.45427 -13511.937 0 -13379.89 496.43224 67359.415 Loop time of 12.774 on 1 procs for 1000 steps with 4000 atoms Performance: 6.764 ns/day, 3.548 hours/ns, 78.284 timesteps/s 80.4% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.553 | 12.553 | 12.553 | 0.0 | 98.27 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.056336 | 0.056336 | 0.056336 | 0.0 | 0.44 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.14715 | 0.14715 | 0.14715 | 0.0 | 1.15 Other | | 0.01712 | | | 0.13 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355220 ave 355220 max 355220 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355220 Ave neighs/atom = 88.805 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.037770973264, Press = -1.43442770714188 Setting up Verlet run ... Unit style : metal Current step : 22000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 22000 255.45427 -13511.937 0 -13379.89 496.43224 67359.415 23000 252.06904 -13513.034 0 -13382.736 -289.01188 67407.864 Loop time of 13.851 on 1 procs for 1000 steps with 4000 atoms Performance: 6.238 ns/day, 3.847 hours/ns, 72.197 timesteps/s 79.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.59 | 13.59 | 13.59 | 0.0 | 98.12 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.047399 | 0.047399 | 0.047399 | 0.0 | 0.34 Output | 2.2173e-05 | 2.2173e-05 | 2.2173e-05 | 0.0 | 0.00 Modify | 0.187 | 0.187 | 0.187 | 0.0 | 1.35 Other | | 0.02629 | | | 0.19 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355348 ave 355348 max 355348 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355348 Ave neighs/atom = 88.837 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.082903028741, Press = 2.14112477632527 Setting up Verlet run ... Unit style : metal Current step : 23000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 23000 252.06904 -13513.034 0 -13382.736 -289.01188 67407.864 24000 257.99426 -13511.651 0 -13378.291 -14.254549 67395.092 Loop time of 13.2742 on 1 procs for 1000 steps with 4000 atoms Performance: 6.509 ns/day, 3.687 hours/ns, 75.334 timesteps/s 78.5% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.096 | 13.096 | 13.096 | 0.0 | 98.66 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033217 | 0.033217 | 0.033217 | 0.0 | 0.25 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.12794 | 0.12794 | 0.12794 | 0.0 | 0.96 Other | | 0.0173 | | | 0.13 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354833 ave 354833 max 354833 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354833 Ave neighs/atom = 88.7083 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.155797694873, Press = -0.296355871633396 Setting up Verlet run ... Unit style : metal Current step : 24000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 24000 257.99426 -13511.651 0 -13378.291 -14.254549 67395.092 25000 254.13817 -13512.515 0 -13381.148 -832.44235 67458.675 Loop time of 12.7259 on 1 procs for 1000 steps with 4000 atoms Performance: 6.789 ns/day, 3.535 hours/ns, 78.580 timesteps/s 81.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.5 | 12.5 | 12.5 | 0.0 | 98.23 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.049191 | 0.049191 | 0.049191 | 0.0 | 0.39 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.15884 | 0.15884 | 0.15884 | 0.0 | 1.25 Other | | 0.01783 | | | 0.14 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354754 ave 354754 max 354754 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354754 Ave neighs/atom = 88.6885 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.116273816302, Press = 0.937935005102133 Setting up Verlet run ... Unit style : metal Current step : 25000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 25000 254.13817 -13512.515 0 -13381.148 -832.44235 67458.675 26000 257.07416 -13516.067 0 -13383.182 287.13377 67341.378 Loop time of 12.4759 on 1 procs for 1000 steps with 4000 atoms Performance: 6.925 ns/day, 3.466 hours/ns, 80.155 timesteps/s 84.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.302 | 12.302 | 12.302 | 0.0 | 98.61 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033952 | 0.033952 | 0.033952 | 0.0 | 0.27 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.12151 | 0.12151 | 0.12151 | 0.0 | 0.97 Other | | 0.01793 | | | 0.14 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354456 ave 354456 max 354456 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354456 Ave neighs/atom = 88.614 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.075106664212, Press = -0.596410002957265 Setting up Verlet run ... Unit style : metal Current step : 26000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 26000 257.07416 -13516.067 0 -13383.182 287.13377 67341.378 27000 255.52798 -13512.535 0 -13380.45 -859.58888 67463.129 Loop time of 13.6299 on 1 procs for 1000 steps with 4000 atoms Performance: 6.339 ns/day, 3.786 hours/ns, 73.368 timesteps/s 79.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.4 | 13.4 | 13.4 | 0.0 | 98.31 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.050719 | 0.050719 | 0.050719 | 0.0 | 0.37 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.1609 | 0.1609 | 0.1609 | 0.0 | 1.18 Other | | 0.0182 | | | 0.13 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354610 ave 354610 max 354610 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354610 Ave neighs/atom = 88.6525 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.023171040195, Press = 1.99367976806213 Setting up Verlet run ... Unit style : metal Current step : 27000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 27000 255.52798 -13512.535 0 -13380.45 -859.58888 67463.129 28000 251.76502 -13513.771 0 -13383.631 1043.1179 67299.011 Loop time of 12.6288 on 1 procs for 1000 steps with 4000 atoms Performance: 6.842 ns/day, 3.508 hours/ns, 79.184 timesteps/s 85.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.317 | 13.317 | 13.317 | 0.0 | 98.06 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.050595 | 0.050595 | 0.050595 | 0.0 | 0.37 Output | 2.2888e-05 | 2.2888e-05 | 2.2888e-05 | 0.0 | 0.00 Modify | 0.17828 | 0.17828 | 0.17828 | 0.0 | 1.31 Other | | 0.03446 | | | 0.25 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354889 ave 354889 max 354889 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354889 Ave neighs/atom = 88.7223 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.960437896273, Press = -2.44199625804754 Setting up Verlet run ... Unit style : metal Current step : 28000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 28000 295.26373 -13492.471 0 -13339.846 -1022.834 67634.444 29000 297.30461 -13490.596 0 -13336.916 464.86209 67530.281 Loop time of 12.5656 on 1 procs for 1000 steps with 4000 atoms Performance: 6.876 ns/day, 3.490 hours/ns, 79.583 timesteps/s 86.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.35 | 12.35 | 12.35 | 0.0 | 98.28 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.052472 | 0.052472 | 0.052472 | 0.0 | 0.42 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.14061 | 0.14061 | 0.14061 | 0.0 | 1.12 Other | | 0.02295 | | | 0.18 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354816 ave 354816 max 354816 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354816 Ave neighs/atom = 88.704 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.902650455326, Press = -2.71283419438313 Setting up Verlet run ... Unit style : metal Current step : 29000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 29000 297.30461 -13490.596 0 -13336.916 464.86209 67530.281 30000 284.13471 -13492.153 0 -13345.28 1600.9936 67424.59 Loop time of 11.1506 on 1 procs for 1000 steps with 4000 atoms Performance: 7.748 ns/day, 3.097 hours/ns, 89.682 timesteps/s 97.1% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.969 | 10.969 | 10.969 | 0.0 | 98.37 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.0352 | 0.0352 | 0.0352 | 0.0 | 0.32 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.12715 | 0.12715 | 0.12715 | 0.0 | 1.14 Other | | 0.01885 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355550 ave 355550 max 355550 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355550 Ave neighs/atom = 88.8875 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.864650268319, Press = -1.11222936375527 Setting up Verlet run ... Unit style : metal Current step : 30000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 30000 284.13471 -13492.153 0 -13345.28 1600.9936 67424.59 31000 289.76566 -13490.424 0 -13340.641 497.44962 67528.171 Loop time of 11.653 on 1 procs for 1000 steps with 4000 atoms Performance: 7.414 ns/day, 3.237 hours/ns, 85.815 timesteps/s 93.1% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.454 | 11.454 | 11.454 | 0.0 | 98.29 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03546 | 0.03546 | 0.03546 | 0.0 | 0.30 Output | 2.2173e-05 | 2.2173e-05 | 2.2173e-05 | 0.0 | 0.00 Modify | 0.14473 | 0.14473 | 0.14473 | 0.0 | 1.24 Other | | 0.01917 | | | 0.16 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356508 ave 356508 max 356508 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356508 Ave neighs/atom = 89.127 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.854948737746, Press = -0.237896558374787 Setting up Verlet run ... Unit style : metal Current step : 31000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 31000 289.76566 -13490.424 0 -13340.641 497.44962 67528.171 32000 298.93226 -13487.809 0 -13333.288 -335.13537 67614.25 Loop time of 11.173 on 1 procs for 1000 steps with 4000 atoms Performance: 7.733 ns/day, 3.104 hours/ns, 89.502 timesteps/s 98.4% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.974 | 10.974 | 10.974 | 0.0 | 98.22 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.036116 | 0.036116 | 0.036116 | 0.0 | 0.32 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.1433 | 0.1433 | 0.1433 | 0.0 | 1.28 Other | | 0.01951 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355681 ave 355681 max 355681 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355681 Ave neighs/atom = 88.9202 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.883918859552, Press = 0.0762162516580713 Setting up Verlet run ... Unit style : metal Current step : 32000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 32000 298.93226 -13487.809 0 -13333.288 -335.13537 67614.25 33000 295.03097 -13492.869 0 -13340.364 -935.86638 67622.621 Loop time of 11.631 on 1 procs for 1000 steps with 4000 atoms Performance: 7.428 ns/day, 3.231 hours/ns, 85.977 timesteps/s 87.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.43 | 11.43 | 11.43 | 0.0 | 98.27 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033192 | 0.033192 | 0.033192 | 0.0 | 0.29 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.14966 | 0.14966 | 0.14966 | 0.0 | 1.29 Other | | 0.01836 | | | 0.16 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355320 ave 355320 max 355320 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355320 Ave neighs/atom = 88.83 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.956248405972, Press = -0.44650431818401 Setting up Verlet run ... Unit style : metal Current step : 33000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 33000 295.03097 -13492.869 0 -13340.364 -935.86638 67622.621 34000 299.97194 -13490.296 0 -13335.238 -1213.9891 67670.765 Loop time of 10.6482 on 1 procs for 1000 steps with 4000 atoms Performance: 8.114 ns/day, 2.958 hours/ns, 93.913 timesteps/s 94.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.46 | 10.46 | 10.46 | 0.0 | 98.23 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032881 | 0.032881 | 0.032881 | 0.0 | 0.31 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.13686 | 0.13686 | 0.13686 | 0.0 | 1.29 Other | | 0.0185 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354923 ave 354923 max 354923 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354923 Ave neighs/atom = 88.7308 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.966661677082, Press = -1.62188816806185 Setting up Verlet run ... Unit style : metal Current step : 34000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 34000 299.97194 -13490.296 0 -13335.238 -1213.9891 67670.765 35000 285.74013 -13490.302 0 -13342.6 -522.98376 67603.141 Loop time of 11.3064 on 1 procs for 1000 steps with 4000 atoms Performance: 7.642 ns/day, 3.141 hours/ns, 88.445 timesteps/s 93.1% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.118 | 11.118 | 11.118 | 0.0 | 98.33 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.034178 | 0.034178 | 0.034178 | 0.0 | 0.30 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.1355 | 0.1355 | 0.1355 | 0.0 | 1.20 Other | | 0.01892 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354835 ave 354835 max 354835 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354835 Ave neighs/atom = 88.7087 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.991470206118, Press = -2.25849595667676 Setting up Verlet run ... Unit style : metal Current step : 35000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 35000 285.74013 -13490.302 0 -13342.6 -522.98376 67603.141 36000 302.56829 -13491.728 0 -13335.327 -131.36782 67573.466 Loop time of 11.5927 on 1 procs for 1000 steps with 4000 atoms Performance: 7.453 ns/day, 3.220 hours/ns, 86.261 timesteps/s 94.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.406 | 11.406 | 11.406 | 0.0 | 98.39 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035442 | 0.035442 | 0.035442 | 0.0 | 0.31 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.13148 | 0.13148 | 0.13148 | 0.0 | 1.13 Other | | 0.01956 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355318 ave 355318 max 355318 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355318 Ave neighs/atom = 88.8295 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.98231347071, Press = -1.83894064652835 Setting up Verlet run ... Unit style : metal Current step : 36000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 36000 302.56829 -13491.728 0 -13335.327 -131.36782 67573.466 37000 287.31402 -13490.806 0 -13342.29 928.21567 67488.951 Loop time of 11.2765 on 1 procs for 1000 steps with 4000 atoms Performance: 7.662 ns/day, 3.132 hours/ns, 88.680 timesteps/s 90.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.076 | 11.076 | 11.076 | 0.0 | 98.22 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033563 | 0.033563 | 0.033563 | 0.0 | 0.30 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.13154 | 0.13154 | 0.13154 | 0.0 | 1.17 Other | | 0.03537 | | | 0.31 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355304 ave 355304 max 355304 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355304 Ave neighs/atom = 88.826 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.982708392519, Press = -1.17745137862683 Setting up Verlet run ... Unit style : metal Current step : 37000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 37000 287.31402 -13490.806 0 -13342.29 928.21567 67488.951 38000 293.27989 -13490.639 0 -13339.039 479.53514 67523.41 Loop time of 14.1112 on 1 procs for 1000 steps with 4000 atoms Performance: 6.123 ns/day, 3.920 hours/ns, 70.866 timesteps/s 76.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.868 | 13.868 | 13.868 | 0.0 | 98.28 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.047055 | 0.047055 | 0.047055 | 0.0 | 0.33 Output | 5.5075e-05 | 5.5075e-05 | 5.5075e-05 | 0.0 | 0.00 Modify | 0.17686 | 0.17686 | 0.17686 | 0.0 | 1.25 Other | | 0.01929 | | | 0.14 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356206 ave 356206 max 356206 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356206 Ave neighs/atom = 89.0515 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.912746902288, Press = -0.267531366795928 Setting up Verlet run ... Unit style : metal Current step : 38000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 38000 293.27989 -13490.639 0 -13339.039 479.53514 67523.41 39000 292.63234 -13493.926 0 -13342.661 -515.10695 67585.27 Loop time of 10.3033 on 1 procs for 1000 steps with 4000 atoms Performance: 8.386 ns/day, 2.862 hours/ns, 97.056 timesteps/s 96.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.138 | 10.138 | 10.138 | 0.0 | 98.39 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03242 | 0.03242 | 0.03242 | 0.0 | 0.31 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.11454 | 0.11454 | 0.11454 | 0.0 | 1.11 Other | | 0.01858 | | | 0.18 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355699 ave 355699 max 355699 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355699 Ave neighs/atom = 88.9248 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.904993785575, Press = 0.308685275190121 Setting up Verlet run ... Unit style : metal Current step : 39000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 39000 292.63234 -13493.926 0 -13342.661 -515.10695 67585.27 40000 292.72541 -13486.083 0 -13334.77 -1236.1569 67696.337 Loop time of 10.713 on 1 procs for 1000 steps with 4000 atoms Performance: 8.065 ns/day, 2.976 hours/ns, 93.345 timesteps/s 92.7% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.547 | 10.547 | 10.547 | 0.0 | 98.45 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032893 | 0.032893 | 0.032893 | 0.0 | 0.31 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.11514 | 0.11514 | 0.11514 | 0.0 | 1.07 Other | | 0.01808 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355221 ave 355221 max 355221 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355221 Ave neighs/atom = 88.8053 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.903024347135, Press = -0.338152087907995 Setting up Verlet run ... Unit style : metal Current step : 40000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 40000 292.72541 -13486.083 0 -13334.77 -1236.1569 67696.337 41000 292.30793 -13491.711 0 -13340.613 -262.48678 67575.328 Loop time of 10.107 on 1 procs for 1000 steps with 4000 atoms Performance: 8.549 ns/day, 2.808 hours/ns, 98.941 timesteps/s 96.6% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 9.943 | 9.943 | 9.943 | 0.0 | 98.38 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032151 | 0.032151 | 0.032151 | 0.0 | 0.32 Output | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 0.00 Modify | 0.1139 | 0.1139 | 0.1139 | 0.0 | 1.13 Other | | 0.01798 | | | 0.18 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 354918 ave 354918 max 354918 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 354918 Ave neighs/atom = 88.7295 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.898784148518, Press = -1.02061781245248 Setting up Verlet run ... Unit style : metal Current step : 41000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 41000 292.30793 -13491.711 0 -13340.613 -262.48678 67575.328 42000 298.25305 -13489.242 0 -13335.072 336.88731 67547.892 Loop time of 11.552 on 1 procs for 1000 steps with 4000 atoms Performance: 7.479 ns/day, 3.209 hours/ns, 86.565 timesteps/s 89.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.346 | 11.346 | 11.346 | 0.0 | 98.21 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033538 | 0.033538 | 0.033538 | 0.0 | 0.29 Output | 3.0994e-05 | 3.0994e-05 | 3.0994e-05 | 0.0 | 0.00 Modify | 0.13777 | 0.13777 | 0.13777 | 0.0 | 1.19 Other | | 0.03494 | | | 0.30 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355239 ave 355239 max 355239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355239 Ave neighs/atom = 88.8097 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.93580908266, Press = -0.512807062129851 Setting up Verlet run ... Unit style : metal Current step : 42000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 42000 298.25305 -13489.242 0 -13335.072 336.88731 67547.892 43000 291.81384 -13488.494 0 -13337.652 184.64802 67559.24 Loop time of 12.5694 on 1 procs for 1000 steps with 4000 atoms Performance: 6.874 ns/day, 3.492 hours/ns, 79.558 timesteps/s 87.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.353 | 12.353 | 12.353 | 0.0 | 98.28 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.067381 | 0.067381 | 0.067381 | 0.0 | 0.54 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.12958 | 0.12958 | 0.12958 | 0.0 | 1.03 Other | | 0.01908 | | | 0.15 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355453 ave 355453 max 355453 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355453 Ave neighs/atom = 88.8632 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 292.946770875932, Press = -0.222132520070635 Setting up Verlet run ... Unit style : metal Current step : 43000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 43000 291.81384 -13488.494 0 -13337.652 184.64802 67559.24 44000 289.54388 -13492.261 0 -13342.593 442.31927 67514.772 Loop time of 11.2014 on 1 procs for 1000 steps with 4000 atoms Performance: 7.713 ns/day, 3.111 hours/ns, 89.275 timesteps/s 93.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.015 | 11.015 | 11.015 | 0.0 | 98.34 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032907 | 0.032907 | 0.032907 | 0.0 | 0.29 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.13438 | 0.13438 | 0.13438 | 0.0 | 1.20 Other | | 0.01866 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8194 ave 8194 max 8194 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355757 ave 355757 max 355757 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355757 Ave neighs/atom = 88.9393 Neighbor list builds = 0 Dangerous builds = 0 67560.6036502726 ALL DONE Total wall time: 0:10:21 tting up Verlet run ... Unit style : metal Current step : 44000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 44000 339.42447 -13467.161 0 -13291.708 -540.39067 67797.406 45000 330.58307 -13468.236 0 -13297.353 60.036672 67737.471 Loop time of 10.9088 on 1 procs for 1000 steps with 4000 atoms Performance: 7.920 ns/day, 3.030 hours/ns, 91.670 timesteps/s 98.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.73 | 10.73 | 10.73 | 0.0 | 98.36 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032858 | 0.032858 | 0.032858 | 0.0 | 0.30 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.12721 | 0.12721 | 0.12721 | 0.0 | 1.17 Other | | 0.01878 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355667 ave 355667 max 355667 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355667 Ave neighs/atom = 88.9167 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.917929253174, Press = 0.318635058961541 Setting up Verlet run ... Unit style : metal Current step : 45000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 45000 330.58307 -13468.236 0 -13297.353 60.036672 67737.471 46000 339.92965 -13467.87 0 -13292.156 504.61423 67710.191 Loop time of 10.7579 on 1 procs for 1000 steps with 4000 atoms Performance: 8.031 ns/day, 2.988 hours/ns, 92.955 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 10.578 | 10.578 | 10.578 | 0.0 | 98.33 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033226 | 0.033226 | 0.033226 | 0.0 | 0.31 Output | 1.502e-05 | 1.502e-05 | 1.502e-05 | 0.0 | 0.00 Modify | 0.12788 | 0.12788 | 0.12788 | 0.0 | 1.19 Other | | 0.01867 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8190 ave 8190 max 8190 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355894 ave 355894 max 355894 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355894 Ave neighs/atom = 88.9735 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.929851816186, Press = 1.32765211357886 Setting up Verlet run ... Unit style : metal Current step : 46000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 46000 339.92965 -13467.87 0 -13292.156 504.61423 67710.191 47000 331.93053 -13469.004 0 -13297.425 1978.8757 67579.671 Loop time of 11.5724 on 1 procs for 1000 steps with 4000 atoms Performance: 7.466 ns/day, 3.215 hours/ns, 86.413 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.378 | 11.378 | 11.378 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035974 | 0.035974 | 0.035974 | 0.0 | 0.31 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.13877 | 0.13877 | 0.13877 | 0.0 | 1.20 Other | | 0.01926 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355939 ave 355939 max 355939 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355939 Ave neighs/atom = 88.9848 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.8967760588, Press = -0.0590764179526648 Setting up Verlet run ... Unit style : metal Current step : 47000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 47000 331.93053 -13469.004 0 -13297.425 1978.8757 67579.671 48000 333.93444 -13467.535 0 -13294.92 62.59562 67744.83 Loop time of 11.7171 on 1 procs for 1000 steps with 4000 atoms Performance: 7.374 ns/day, 3.255 hours/ns, 85.345 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.519 | 11.519 | 11.519 | 0.0 | 98.31 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.036841 | 0.036841 | 0.036841 | 0.0 | 0.31 Output | 1.9789e-05 | 1.9789e-05 | 1.9789e-05 | 0.0 | 0.00 Modify | 0.14137 | 0.14137 | 0.14137 | 0.0 | 1.21 Other | | 0.01993 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8194 ave 8194 max 8194 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356332 ave 356332 max 356332 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356332 Ave neighs/atom = 89.083 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.919389885172, Press = -0.543471925825391 Setting up Verlet run ... Unit style : metal Current step : 48000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 48000 333.93444 -13467.535 0 -13294.92 62.59562 67744.83 49000 330.80939 -13474.003 0 -13303.004 -513.18887 67743.347 Loop time of 11.6764 on 1 procs for 1000 steps with 4000 atoms Performance: 7.400 ns/day, 3.243 hours/ns, 85.643 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.479 | 11.479 | 11.479 | 0.0 | 98.31 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.036305 | 0.036305 | 0.036305 | 0.0 | 0.31 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.1417 | 0.1417 | 0.1417 | 0.0 | 1.21 Other | | 0.01949 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8193 ave 8193 max 8193 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355646 ave 355646 max 355646 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355646 Ave neighs/atom = 88.9115 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.881184790475, Press = -0.194254112353105 Setting up Verlet run ... Unit style : metal Current step : 49000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 49000 330.80939 -13474.003 0 -13303.004 -513.18887 67743.347 50000 329.35502 -13464 0 -13293.752 -0.037306242 67773.772 Loop time of 11.5386 on 1 procs for 1000 steps with 4000 atoms Performance: 7.488 ns/day, 3.205 hours/ns, 86.666 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.345 | 11.345 | 11.345 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035998 | 0.035998 | 0.035998 | 0.0 | 0.31 Output | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 | 0.0 | 0.00 Modify | 0.13858 | 0.13858 | 0.13858 | 0.0 | 1.20 Other | | 0.01942 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355122 ave 355122 max 355122 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355122 Ave neighs/atom = 88.7805 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.858985712972, Press = 0.497624584114991 Setting up Verlet run ... Unit style : metal Current step : 50000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 50000 329.35502 -13464 0 -13293.752 -0.037306242 67773.772 51000 333.83029 -13468.748 0 -13296.187 -8.619891 67745.507 Loop time of 11.6335 on 1 procs for 1000 steps with 4000 atoms Performance: 7.427 ns/day, 3.232 hours/ns, 85.959 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.438 | 11.438 | 11.438 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03623 | 0.03623 | 0.03623 | 0.0 | 0.31 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.14012 | 0.14012 | 0.14012 | 0.0 | 1.20 Other | | 0.01932 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8190 ave 8190 max 8190 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355766 ave 355766 max 355766 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355766 Ave neighs/atom = 88.9415 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.842628826673, Press = 1.36490271395223 Setting up Verlet run ... Unit style : metal Current step : 51000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 51000 333.83029 -13468.748 0 -13296.187 -8.619891 67745.507 52000 341.68641 -13472.157 0 -13295.536 1117.9405 67631.577 Loop time of 11.5255 on 1 procs for 1000 steps with 4000 atoms Performance: 7.496 ns/day, 3.202 hours/ns, 86.764 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.332 | 11.332 | 11.332 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035878 | 0.035878 | 0.035878 | 0.0 | 0.31 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.13854 | 0.13854 | 0.13854 | 0.0 | 1.20 Other | | 0.01951 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8193 ave 8193 max 8193 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355714 ave 355714 max 355714 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355714 Ave neighs/atom = 88.9285 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.853542074593, Press = 1.23317558299316 Setting up Verlet run ... Unit style : metal Current step : 52000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 52000 341.68641 -13472.157 0 -13295.536 1117.9405 67631.577 53000 332.82813 -13469.271 0 -13297.228 675.54517 67679.743 Loop time of 11.488 on 1 procs for 1000 steps with 4000 atoms Performance: 7.521 ns/day, 3.191 hours/ns, 87.047 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.295 | 11.295 | 11.295 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035725 | 0.035725 | 0.035725 | 0.0 | 0.31 Output | 2.2888e-05 | 2.2888e-05 | 2.2888e-05 | 0.0 | 0.00 Modify | 0.13797 | 0.13797 | 0.13797 | 0.0 | 1.20 Other | | 0.01951 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8192 ave 8192 max 8192 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 356331 ave 356331 max 356331 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 356331 Ave neighs/atom = 89.0828 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.86555346595, Press = -0.316962938569583 Setting up Verlet run ... Unit style : metal Current step : 53000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 53000 332.82813 -13469.271 0 -13297.228 675.54517 67679.743 54000 331.11415 -13466.631 0 -13295.474 -356.08991 67785.337 Loop time of 11.5872 on 1 procs for 1000 steps with 4000 atoms Performance: 7.457 ns/day, 3.219 hours/ns, 86.302 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.392 | 11.392 | 11.392 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035739 | 0.035739 | 0.035739 | 0.0 | 0.31 Output | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 0.00 Modify | 0.1395 | 0.1395 | 0.1395 | 0.0 | 1.20 Other | | 0.01979 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8194 ave 8194 max 8194 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355931 ave 355931 max 355931 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355931 Ave neighs/atom = 88.9827 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.878981831212, Press = -0.305324289480368 Setting up Verlet run ... Unit style : metal Current step : 54000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 54000 331.11415 -13466.631 0 -13295.474 -356.08991 67785.337 55000 334.65969 -13465.266 0 -13292.276 -303.80671 67788.43 Loop time of 11.6318 on 1 procs for 1000 steps with 4000 atoms Performance: 7.428 ns/day, 3.231 hours/ns, 85.971 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.438 | 11.438 | 11.438 | 0.0 | 98.33 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035969 | 0.035969 | 0.035969 | 0.0 | 0.31 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.1388 | 0.1388 | 0.1388 | 0.0 | 1.19 Other | | 0.01949 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355985 ave 355985 max 355985 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355985 Ave neighs/atom = 88.9963 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.889145474876, Press = 0.482147437726227 Setting up Verlet run ... Unit style : metal Current step : 55000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 55000 334.65969 -13465.266 0 -13292.276 -303.80671 67788.43 56000 331.18803 -13470.141 0 -13298.946 -178.59729 67732.623 Loop time of 11.5451 on 1 procs for 1000 steps with 4000 atoms Performance: 7.484 ns/day, 3.207 hours/ns, 86.617 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.352 | 11.352 | 11.352 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035908 | 0.035908 | 0.035908 | 0.0 | 0.31 Output | 2.1935e-05 | 2.1935e-05 | 2.1935e-05 | 0.0 | 0.00 Modify | 0.13829 | 0.13829 | 0.13829 | 0.0 | 1.20 Other | | 0.01937 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355597 ave 355597 max 355597 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355597 Ave neighs/atom = 88.8992 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 332.936277456206, Press = 0.606223776974603 Setting up Verlet run ... Unit style : metal Current step : 56000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.655 | 4.655 | 4.655 Mbytes Step Temp E_pair E_mol TotEng Press Volume 56000 331.18803 -13470.141 0 -13298.946 -178.59729 67732.623 57000 336.02399 -13470.605 0 -13296.911 202.92454 67708.917 Loop time of 11.5762 on 1 procs for 1000 steps with 4000 atoms Performance: 7.464 ns/day, 3.216 hours/ns, 86.384 timesteps/s 100.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 11.381 | 11.381 | 11.381 | 0.0 | 98.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.036024 | 0.036024 | 0.036024 | 0.0 | 0.31 Output | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 0.00 Modify | 0.13902 | 0.13902 | 0.13902 | 0.0 | 1.20 Other | | 0.01981 | | | 0.17 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8195 ave 8195 max 8195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 355285 ave 355285 max 355285 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 355285 Ave neighs/atom = 88.8213 Neighbor list builds = 0 Dangerous builds = 0 67739.2085503419 ALL DONE Total wall time: 0:12:49