LAMMPS (23 Jun 2022) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task WARNING: 'kim_' has been renamed to 'kim '. Please update your input. Lattice spacing in x,y,z = 5.4223008 5.4223008 5.4223008 Created orthogonal box = (0 0 0) to (54.223008 54.223008 54.223008) 1 by 1 by 1 MPI processor grid Created 8000 atoms using lattice units in orthogonal box = (0 0 0) to (54.223008 54.223008 54.223008) create_atoms CPU = 0.001 seconds WARNING: 'kim_' has been renamed to 'kim '. Please update your input. Initial system volume: 159422.937867836 Angstroms^3 CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM: https://doi.org/10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_557492625287_002#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 7.894 | 7.894 | 7.894 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 0 -36768.337 -36768.337 -37030.082 -37030.082 253.15 253.15 159422.94 159422.94 1753.6539 1753.6539 1000 -36483.605 -36483.605 -36781.953 -36781.953 288.55083 288.55083 160611.97 160611.97 -1562.9124 -1562.9124 Loop time of 275.926 on 1 procs for 1000 steps with 8000 atoms Performance: 0.313 ns/day, 76.646 hours/ns, 3.624 timesteps/s 55.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 275.32 | 275.32 | 275.32 | 0.0 | 99.78 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.061125 | 0.061125 | 0.061125 | 0.0 | 0.02 Output | 0.00021317 | 0.00021317 | 0.00021317 | 0.0 | 0.00 Modify | 0.46997 | 0.46997 | 0.46997 | 0.0 | 0.17 Other | | 0.07204 | | | 0.03 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 8601 ave 8601 max 8601 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 560000 ave 560000 max 560000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 560000 Ave neighs/atom = 70 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 1000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 1000 -36483.605 -36483.605 -36781.953 -36781.953 288.55083 288.55083 160611.97 160611.97 -1562.9124 -1562.9124 2000 -36511.48 -36511.48 -36768.868 -36768.868 248.93575 248.93575 160299.22 160299.22 667.8775 667.8775 Loop time of 295.842 on 1 procs for 1000 steps with 8000 atoms Performance: 0.292 ns/day, 82.178 hours/ns, 3.380 timesteps/s 56.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 295.24 | 295.24 | 295.24 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.053386 | 0.053386 | 0.053386 | 0.0 | 0.02 Output | 0.00011663 | 0.00011663 | 0.00011663 | 0.0 | 0.00 Modify | 0.46423 | 0.46423 | 0.46423 | 0.0 | 0.16 Other | | 0.08518 | | | 0.03 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7661 ave 7661 max 7661 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555150 ave 555150 max 555150 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555150 Ave neighs/atom = 69.39375 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 2000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.138 | 8.138 | 8.138 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 2000 -36511.48 -36511.48 -36768.868 -36768.868 248.93575 248.93575 160299.22 160299.22 667.8775 667.8775 3000 -36497.802 -36497.802 -36761.655 -36761.655 255.18809 255.18809 160501.78 160501.78 -365.52359 -365.52359 Loop time of 335.106 on 1 procs for 1000 steps with 8000 atoms Performance: 0.258 ns/day, 93.085 hours/ns, 2.984 timesteps/s 50.3% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 334.28 | 334.28 | 334.28 | 0.0 | 99.75 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.065368 | 0.065368 | 0.065368 | 0.0 | 0.02 Output | 0.0001044 | 0.0001044 | 0.0001044 | 0.0 | 0.00 Modify | 0.62271 | 0.62271 | 0.62271 | 0.0 | 0.19 Other | | 0.1419 | | | 0.04 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7810 ave 7810 max 7810 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555628 ave 555628 max 555628 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555628 Ave neighs/atom = 69.4535 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 3000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 3000 -36455.247 -36455.247 -36740.098 -36740.098 275.4971 275.4971 160507.42 160507.42 131.78425 131.78425 4000 -36463.562 -36463.562 -36741.648 -36741.648 268.95468 268.95468 160532.74 160532.74 -307.89981 -307.89981 Loop time of 338.444 on 1 procs for 1000 steps with 8000 atoms Performance: 0.255 ns/day, 94.012 hours/ns, 2.955 timesteps/s 49.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 337.8 | 337.8 | 337.8 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.060379 | 0.060379 | 0.060379 | 0.0 | 0.02 Output | 0.00011696 | 0.00011696 | 0.00011696 | 0.0 | 0.00 Modify | 0.46123 | 0.46123 | 0.46123 | 0.0 | 0.14 Other | | 0.1184 | | | 0.03 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7708 ave 7708 max 7708 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553978 ave 553978 max 553978 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553978 Ave neighs/atom = 69.24725 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 0, Press = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 4000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 4000 -36463.562 -36463.562 -36741.648 -36741.648 268.95468 268.95468 160532.74 160532.74 -307.89981 -307.89981 5000 -36461.705 -36461.705 -36747.403 -36747.403 276.31653 276.31653 160464.34 160464.34 162.5697 162.5697 Loop time of 292.82 on 1 procs for 1000 steps with 8000 atoms Performance: 0.295 ns/day, 81.339 hours/ns, 3.415 timesteps/s 57.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 292.26 | 292.26 | 292.26 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.057755 | 0.057755 | 0.057755 | 0.0 | 0.02 Output | 8.9287e-05 | 8.9287e-05 | 8.9287e-05 | 0.0 | 0.00 Modify | 0.4398 | 0.4398 | 0.4398 | 0.0 | 0.15 Other | | 0.05806 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7748 ave 7748 max 7748 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553820 ave 553820 max 553820 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553820 Ave neighs/atom = 69.2275 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 273.515258447013, Press = -250.067441773548 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 5000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 5000 -36461.705 -36461.705 -36747.403 -36747.403 276.31653 276.31653 160464.34 160464.34 162.5697 162.5697 6000 -36457.874 -36457.874 -36736.018 -36736.018 269.01043 269.01043 160397.27 160397.27 578.09599 578.09599 Loop time of 261.754 on 1 procs for 1000 steps with 8000 atoms Performance: 0.330 ns/day, 72.709 hours/ns, 3.820 timesteps/s 65.1% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 261.3 | 261.3 | 261.3 | 0.0 | 99.83 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03737 | 0.03737 | 0.03737 | 0.0 | 0.01 Output | 9.2894e-05 | 9.2894e-05 | 9.2894e-05 | 0.0 | 0.00 Modify | 0.37267 | 0.37267 | 0.37267 | 0.0 | 0.14 Other | | 0.04766 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7771 ave 7771 max 7771 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554452 ave 554452 max 554452 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554452 Ave neighs/atom = 69.3065 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 272.677193754591, Press = -0.0618120986839043 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 6000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.138 | 8.138 | 8.138 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 6000 -36457.874 -36457.874 -36736.018 -36736.018 269.01043 269.01043 160397.27 160397.27 578.09599 578.09599 7000 -36463.997 -36463.997 -36751.493 -36751.493 278.05505 278.05505 160596.71 160596.71 -618.77362 -618.77362 Loop time of 278.935 on 1 procs for 1000 steps with 8000 atoms Performance: 0.310 ns/day, 77.482 hours/ns, 3.585 timesteps/s 60.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 278.36 | 278.36 | 278.36 | 0.0 | 99.79 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.057215 | 0.057215 | 0.057215 | 0.0 | 0.02 Output | 8.004e-05 | 8.004e-05 | 8.004e-05 | 0.0 | 0.00 Modify | 0.46352 | 0.46352 | 0.46352 | 0.0 | 0.17 Other | | 0.05843 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7822 ave 7822 max 7822 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554034 ave 554034 max 554034 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554034 Ave neighs/atom = 69.25425 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 273.071119174749, Press = 3.29195072819874 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 7000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 7000 -36463.997 -36463.997 -36751.493 -36751.493 278.05505 278.05505 160596.71 160596.71 -618.77362 -618.77362 8000 -36455.681 -36455.681 -36740.553 -36740.553 275.51763 275.51763 160551.02 160551.02 -199.92916 -199.92916 Loop time of 216.454 on 1 procs for 1000 steps with 8000 atoms Performance: 0.399 ns/day, 60.126 hours/ns, 4.620 timesteps/s 84.5% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 216.02 | 216.02 | 216.02 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.047042 | 0.047042 | 0.047042 | 0.0 | 0.02 Output | 0.00023352 | 0.00023352 | 0.00023352 | 0.0 | 0.00 Modify | 0.35137 | 0.35137 | 0.35137 | 0.0 | 0.16 Other | | 0.0311 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7742 ave 7742 max 7742 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554852 ave 554852 max 554852 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554852 Ave neighs/atom = 69.3565 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 273.039825380924, Press = -7.94096316872035 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 8000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 8000 -36455.681 -36455.681 -36740.553 -36740.553 275.51763 275.51763 160551.02 160551.02 -199.92916 -199.92916 9000 -36463.995 -36463.995 -36745 -36745 271.77736 271.77736 160465.91 160465.91 216.57139 216.57139 Loop time of 210.482 on 1 procs for 1000 steps with 8000 atoms Performance: 0.410 ns/day, 58.467 hours/ns, 4.751 timesteps/s 88.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 210.05 | 210.05 | 210.05 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.038122 | 0.038122 | 0.038122 | 0.0 | 0.02 Output | 9.1492e-05 | 9.1492e-05 | 9.1492e-05 | 0.0 | 0.00 Modify | 0.35673 | 0.35673 | 0.35673 | 0.0 | 0.17 Other | | 0.03425 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7751 ave 7751 max 7751 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554100 ave 554100 max 554100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554100 Ave neighs/atom = 69.2625 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 273.081302533581, Press = -2.32562920573255 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 9000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 9000 -36463.995 -36463.995 -36745 -36745 271.77736 271.77736 160465.91 160465.91 216.57139 216.57139 10000 -36457.702 -36457.702 -36741.904 -36741.904 274.86994 274.86994 160495.47 160495.47 10.365454 10.365454 Loop time of 210.818 on 1 procs for 1000 steps with 8000 atoms Performance: 0.410 ns/day, 58.560 hours/ns, 4.743 timesteps/s 88.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 210.4 | 210.4 | 210.4 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.037928 | 0.037928 | 0.037928 | 0.0 | 0.02 Output | 9.2504e-05 | 9.2504e-05 | 9.2504e-05 | 0.0 | 0.00 Modify | 0.34512 | 0.34512 | 0.34512 | 0.0 | 0.16 Other | | 0.03106 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7762 ave 7762 max 7762 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554304 ave 554304 max 554304 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbor54840 Ave neighs/atom = 69.355 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.143852293822, Press = 0.833321259699442 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 10000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 10000 -36500.67 -36500.67 -36757.73 -36757.73 248.61922 248.61922 160378.82 160378.82 249.45775 249.45775 11000 -36500.343 -36500.343 -36766.365 -36766.365 257.28641 257.28641 160485.54 160485.54 -394.25989 -394.25989 Loop time of 214.905 on 1 procs for 1000 steps with 8000 atoms Performance: 0.402 ns/day, 59.696 hours/ns, 4.653 timesteps/s 87.3% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 214.52 | 214.52 | 214.52 | 0.0 | 99.82 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.037756 | 0.037756 | 0.037756 | 0.0 | 0.02 Output | 8.8095e-05 | 8.8095e-05 | 8.8095e-05 | 0.0 | 0.00 Modify | 0.31847 | 0.31847 | 0.31847 | 0.0 | 0.15 Other | | 0.03107 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7722 ave 7722 max 7722 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555006 ave 555006 max 555006 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555006 Ave neighs/atom = 69.37575 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.183016619084, Press = 0.300939717076073 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 11000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 11000 -36500.343 -36500.343 -36766.365 -36766.365 257.28641 257.28641 160485.54 160485.54 -394.25989 -394.25989 12000 -36505.034 -36505.034 -36760.56 -36760.56 247.13546 247.13546 160370.24 160370.24 312.03708 312.03708 Loop time of 178.037 on 1 procs for 1000 steps with 8000 atoms Performance: 0.485 ns/day, 49.455 hours/ns, 5.617 timesteps/s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 177.69 | 177.69 | 177.69 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.035502 | 0.035502 | 0.035502 | 0.0 | 0.02 Output | 8.1744e-05 | 8.1744e-05 | 8.1744e-05 | 0.0 | 0.00 Modify | 0.27732 | 0.27732 | 0.27732 | 0.0 | 0.16 Other | | 0.02905 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7738 ave 7738 max 7738 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555250 ave 555250 max 555250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555250 Ave neighs/atom = 69.40625 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.336169022867, Press = -0.422375248381793 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 12000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 12000 -36505.034 -36505.034 -36760.56 -36760.56 247.13546 247.13546 160370.24 160370.24 312.03708 312.03708 13000 -36498.202 -36498.202 -36758.88 -36758.88 252.11837 252.11837 160475.72 160475.72 -218.16253 -218.16253 Loop time of 167.729 on 1 procs for 1000 steps with 8000 atoms Performance: 0.515 ns/day, 46.591 hours/ns, 5.962 timesteps/s 99.5% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 167.41 | 167.41 | 167.41 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.033412 | 0.033412 | 0.033412 | 0.0 | 0.02 Output | 7.8928e-05 | 7.8928e-05 | 7.8928e-05 | 0.0 | 0.00 Modify | 0.26138 | 0.26138 | 0.26138 | 0.0 | 0.16 Other | | 0.02742 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7726 ave 7726 max 7726 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555412 ave 555412 max 555412 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555412 Ave neighs/atom = 69.4265 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.367289890085, Press = 1.05413674399941 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 13000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 13000 -36498.202 -36498.202 -36758.88 -36758.88 252.11837 252.11837 160475.72 160475.72 -218.16253 -218.16253 14000 -36503.597 -36503.597 -36758.945 -36758.945 246.96312 246.96312 160428.93 160428.93 -111.83946 -111.83946 Loop time of 168.255 on 1 procs for 1000 steps with 8000 atoms Performance: 0.514 ns/day, 46.737 hours/ns, 5.943 timesteps/s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 167.93 | 167.93 | 167.93 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03287 | 0.03287 | 0.03287 | 0.0 | 0.02 Output | 8.0691e-05 | 8.0691e-05 | 8.0691e-05 | 0.0 | 0.00 Modify | 0.26108 | 0.26108 | 0.26108 | 0.0 | 0.16 Other | | 0.02677 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7733 ave 7733 max 7733 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554812 ave 554812 max 554812 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554812 Ave neighs/atom = 69.3515 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.33309113434, Press = -1.26579311312827 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 14000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 14000 -36503.597 -36503.597 -36758.945 -36758.945 246.96312 246.96312 160428.93 160428.93 -111.83946 -111.83946 15000 -36504.28 -36504.28 -36765.738 -36765.738 252.87229 252.87229 160438.29 160438.29 -193.48381 -193.48381 Loop time of 168.539 on 1 procs for 1000 steps with 8000 atoms Performance: 0.513 ns/day, 46.816 hours/ns, 5.933 timesteps/s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 168.21 | 168.21 | 168.21 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03344 | 0.03344 | 0.03344 | 0.0 | 0.02 Output | 9.1161e-05 | 9.1161e-05 | 9.1161e-05 | 0.0 | 0.00 Modify | 0.26381 | 0.26381 | 0.26381 | 0.0 | 0.16 Other | | 0.02814 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7723 ave 7723 max 7723 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 554678 ave 554678 max 554678 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 554678 Ave neighs/atom = 69.33475 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.309788204939, Press = 1.77240608139156 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 15000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.138 | 8.138 | 8.138 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 15000 -36504.28 -36504.28 -36765.738 -36765.738 252.87229 252.87229 160438.29 160438.29 -193.48381 -193.48381 16000 -36503.236 -36503.236 -36765.163 -36765.163 253.3261 253.3261 160411.29 160411.29 -13.441769 -13.441769 Loop time of 168.176 on 1 procs for 1000 steps with 8000 atoms Performance: 0.514 ns/day, 46.715 hours/ns, 5.946 timesteps/s 99.5% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 167.85 | 167.85 | 167.85 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032918 | 0.032918 | 0.032918 | 0.0 | 0.02 Output | 8.3567e-05 | 8.3567e-05 | 8.3567e-05 | 0.0 | 0.00 Modify | 0.2612 | 0.2612 | 0.2612 | 0.0 | 0.16 Other | | 0.02732 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7660 ave 7660 max 7660 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555074 ave 555074 max 555074 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555074 Ave neighs/atom = 69.38425 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.240281799421, Press = -1.54421452854083 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 16000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 16000 -36503.236 -36503.236 -36765.163 -36765.163 253.3261 253.3261 160411.29 160411.29 -13.441769 -13.441769 17000 -36501.027 -36501.027 -36763.421 -36763.421 253.77796 253.77796 160484.6 160484.6 -360.79585 -360.79585 Loop time of 167.873 on 1 procs for 1000 steps with 8000 atoms Performance: 0.515 ns/day, 46.631 hours/ns, 5.957 timesteps/s 99.5% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 167.54 | 167.54 | 167.54 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.034869 | 0.034869 | 0.034869 | 0.0 | 0.02 Output | 0.00010997 | 0.00010997 | 0.00010997 | 0.0 | 0.00 Modify | 0.27211 | 0.27211 | 0.27211 | 0.0 | 0.16 Other | | 0.02823 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7677 ave 7677 max 7677 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555166 ave 555166 max 555166 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555166 Ave neighs/atom = 69.39575 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.287375313021, Press = 1.5827722610311 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 17000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.138 | 8.138 | 8.138 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 17000 -36501.027 -36501.027 -36763.421 -36763.421 253.77796 253.77796 160484.6 160484.6 -360.79585 -360.79585 18000 -36497.615 -36497.615 -36759.975 -36759.975 253.74512 253.74512 160382.11 160382.11 318.7891 318.7891 Loop time of 167.207 on 1 procs for 1000 steps with 8000 atoms Performance: 0.517 ns/day, 46.446 hours/ns, 5.981 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 166.89 | 166.89 | 166.89 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.030855 | 0.030855 | 0.030855 | 0.0 | 0.02 Output | 0.0001351 | 0.0001351 | 0.0001351 | 0.0 | 0.00 Modify | 0.25972 | 0.25972 | 0.25972 | 0.0 | 0.16 Other | | 0.02367 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7654 ave 7654 max 7654 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555194 ave 555194 max 555194 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555194 Ave neighs/atom = 69.39925 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.321555491973, Press = -0.843604128933671 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 18000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.139 | 8.139 | 8.139 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 18000 -36497.615 -36497.615 -36759.975 -36759.975 253.74512 253.74512 160382.11 160382.11 318.7891 318.7891 19000 -36505.168 -36505.168 -36765.394 -36765.394 251.6813 251.6813 160443.97 160443.97 -130.19545 -130.19545 Loop time of 167.098 on 1 procs for 1000 steps with 8000 atoms Performance: 0.517 ns/day, 46.416 hours/ns, 5.985 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 166.78 | 166.78 | 166.78 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.031214 | 0.031214 | 0.031214 | 0.0 | 0.02 Output | 8.1664e-05 | 8.1664e-05 | 8.1664e-05 | 0.0 | 0.00 Modify | 0.25795 | 0.25795 | 0.25795 | 0.0 | 0.15 Other | | 0.02403 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7744 ave 7744 max 7744 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555102 ave 555102 max 555102 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555102 Ave neighs/atom = 69.38775 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.378455403848, Press = 0.865409243518728 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 19000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.138 | 8.138 | 8.138 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 19000 -36505.168 -36505.168 -36765.394 -36765.394 251.6813 251.6813 160443.97 160443.97 -130.19545 -130.19545 20000 -36502.602 -36502.602 -36762.957 -36762.957 251.80569 251.80569 160441.07 160441.07 -72.965867 -72.965867 Loop time of 166.991 on 1 procs for 1000 steps with 8000 atoms Performance: 0.517 ns/day, 46.386 hours/ns, 5.988 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 166.68 | 166.68 | 166.68 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.030909 | 0.030909 | 0.030909 | 0.0 | 0.02 Output | 8.1112e-05 | 8.1112e-05 | 8.1112e-05 | 0.0 | 0.00 Modify | 0.25787 | 0.25787 | 0.25787 | 0.0 | 0.15 Other | | 0.0239 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7638 ave 7638 max 7638 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 555392 ave 555392 max 555392 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 555392 Ave neighs/atom = 69.424 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 253.360880736746, Press = -0.207980612251683 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 20000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.13Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 20000 -36422.387 -36422.387 -36722.347 -36722.347 290.11109 290.11109 160560.77 160560.77 110.36288 110.36288 21000 -36419.099 -36419.099 -36722.093 -36722.093 293.04381 293.04381 160570.53 160570.53 140.91401 140.91401 Loop time of 166.367 on 1 procs for 1000 steps with 8000 atoms Performance: 0.519 ns/day, 46.213 hours/ns, 6.011 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 166.05 | 166.05 | 166.05 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032459 | 0.032459 | 0.032459 | 0.0 | 0.02 Output | 0.00013953 | 0.00013953 | 0.00013953 | 0.0 | 0.00 Modify | 0.25829 | 0.25829 | 0.25829 | 0.0 | 0.16 Other | | 0.0244 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7676 ave 7676 max 7676 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553256 ave 553256 max 553256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553256 Ave neighs/atom = 69.157 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.478268317785, Press = 1.21188873136035 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 21000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 21000 -36419.099 -36419.099 -36722.093 -36722.093 293.04381 293.04381 160570.53 160570.53 140.91401 140.91401 22000 -36412.146 -36412.146 -36717.789 -36717.789 295.60702 295.60702 160662.65 160662.65 -458.6855 -458.6855 Loop time of 166.256 on 1 procs for 1000 steps with 8000 atoms Performance: 0.520 ns/day, 46.182 hours/ns, 6.015 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.94 | 165.94 | 165.94 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.032167 | 0.032167 | 0.032167 | 0.0 | 0.02 Output | 9.049e-05 | 9.049e-05 | 9.049e-05 | 0.0 | 0.00 Modify | 0.25725 | 0.25725 | 0.25725 | 0.0 | 0.15 Other | | 0.02432 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7674 ave 7674 max 7674 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553014 ave 553014 max 553014 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553014 Ave neighs/atom = 69.12675 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.500550992869, Press = 0.442635251926723 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 22000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 22000 -36412.146 -36412.146 -36717.789 -36717.789 295.60702 295.60702 160662.65 160662.65 -458.6855 -458.6855 23000 -36418.161 -36418.161 -36723.518 -36723.518 295.32987 295.32987 160729.28 160729.28 -918.04895 -918.04895 Loop time of 165.781 on 1 procs for 1000 steps with 8000 atoms Performance: 0.521 ns/day, 46.050 hours/ns, 6.032 timesteps/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.47 | 165.47 | 165.47 | 0.0 | 99.81 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03167 | 0.03167 | 0.03167 | 0.0 | 0.02 Output | 8.3577e-05 | 8.3577e-05 | 8.3577e-05 | 0.0 | 0.00 Modify | 0.25256 | 0.25256 | 0.25256 | 0.0 | 0.15 Other | | 0.02321 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7666 ave 7666 max 7666 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 552182 ave 552182 max 552182 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 552182 Ave neighs/atom = 69.02275 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.523890487283, Press = -0.182877066806426 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 23000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 23000 -36418.161 -36418.161 -36723.518 -36723.518 295.32987 295.32987 160729.28 160729.28 -918.04895 -918.04895 24000 -36418.679 -36418.679 -36722.153 -36722.153 293.50859 293.50859 160704.49 160704.49 -800.62157 -800.62157 Loop time of 165.509 on 1 procs for 1000 steps with 8000 atoms Performance: 0.522 ns/day, 45.975 hours/ns, 6.042 timesteps/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.2 | 165.2 | 165.2 | 0.0 | 99.82 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.031534 | 0.031534 | 0.031534 | 0.0 | 0.02 Output | 7.8237e-05 | 7.8237e-05 | 7.8237e-05 | 0.0 | 0.00 Modify | 0.2496 | 0.2496 | 0.2496 | 0.0 | 0.15 Other | | 0.02279 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7645 ave 7645 max 7645 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 552964 ave 552964 max 552964 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 552964 Ave neighs/atom = 69.1205 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.501446486569, Press = -0.274843104606163 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 24000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 24000 -36418.679 -36418.679 -36722.153 -36722.153 293.50859 293.50859 160704.49 160704.49 -800.62157 -800.62157 25000 -36429.494 -36429.494 -36724.288 -36724.288 285.11418 285.11418 160605.03 160605.03 -225.17307 -225.17307 Loop time of 165.556 on 1 procs for 1000 steps with 8000 atoms Performance: 0.522 ns/day, 45.988 hours/ns, 6.040 timesteps/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.25 | 165.25 | 165.25 | 0.0 | 99.82 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.031549 | 0.031549 | 0.031549 | 0.0 | 0.02 Output | 7.7626e-05 | 7.7626e-05 | 7.7626e-05 | 0.0 | 0.00 Modify | 0.24951 | 0.24951 | 0.24951 | 0.0 | 0.15 Other | | 0.02278 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7653 ave 7653 max 7653 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 552484 ave 552484 max 552484 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 552484 Ave neighs/atom = 69.0605 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.456751466324, Press = -0.167422169761766 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 25000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 25000 -36429.494 -36429.494 -36724.288 -36724.288 285.11418 285.11418 160605.03 160605.03 -225.17307 -225.17307 26000 -36417.474 -36417.474 -36725.538 -36725.538 297.94788 297.94788 160567.64 160567.64 99.31941 99.31941 Loop time of 165.781 on 1 procs for 1000 steps with 8000 atoms Performance: 0.521 ns/day, 46.050 hours/ns, 6.032 timesteps/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.48 | 165.48 | 165.48 | 0.0 | 99.82 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.031325 | 0.031325 | 0.031325 | 0.0 | 0.02 Output | 7.6303e-05 | 7.6303e-05 | 7.6303e-05 | 0.0 | 0.00 Modify | 0.24919 | 0.24919 | 0.24919 | 0.0 | 0.15 Other | | 0.02275 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7587 ave 7587 max 7587 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553358 ave 553358 max 553358 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553358 Ave neighs/atom = 69.16975 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.396149228005, Press = -0.0725394070710149 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 26000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 26000 -36417.474 -36417.474 -36725.538 -36725.538 297.94788 297.94788 160567.64 160567.64 99.31941 99.31941 27000 -36426.45 -36426.45 -36726.943 -36726.943 290.62484 290.62484 160539.54 160539.54 259.56929 259.56929 Loop time of 165.645 on 1 procs for 1000 steps with 8000 atoms Performance: 0.522 ns/day, 46.013 hours/ns, 6.037 timesteps/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.34 | 165.34 | 165.34 | 0.0 | 99.82 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.03156 | 0.03156 | 0.03156 | 0.0 | 0.02 Output | 7.995e-05 | 7.995e-05 | 7.995e-05 | 0.0 | 0.00 Modify | 0.24922 | 0.24922 | 0.24922 | 0.0 | 0.15 Other | | 0.02285 | | | 0.01 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7711 ave 7711 max 7711 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553348 ave 553348 max 553348 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553348 Ave neighs/atom = 69.1685 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.318896273147, Press = 0.435332778964663 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 27000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.136 | 8.136 | 8.136 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 27000 -36426.45 -36426.45 -36726.943 -36726.943 290.62484 290.62484 160539.54 160539.54 259.56929 259.56929 28000 -36419.383 -36419.383 -36719.681 -36719.681 290.43783 290.43783 160601.03 160601.03 -140.2635 -140.2635 Loop time of 165.877 on 1 procs for 1000 steps with 8000 atoms Performance: 0.521 ns/day, 46.077 hours/ns, 6.029 timesteps/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.54 | 165.54 | 165.54 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.034538 | 0.034538 | 0.034538 | 0.0 | 0.02 Output | 0.0001421 | 0.0001421 | 0.0001421 | 0.0 | 0.00 Modify | 0.27191 | 0.27191 | 0.27191 | 0.0 | 0.16 Other | | 0.0301 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7655 ave 7655 max 7655 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 553488 ave 553488 max 553488 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 553488 Ave neighs/atom = 69.186 Neighbor list builds = 0 Dangerous builds = 0 flag: Temp = 293.291323893668, Press = 0.296146000627766 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 binsize = 3.4, bins = 16 16 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.8 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up Verlet run ... Unit style : metal Current step : 28000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 8.137 | 8.137 | 8.137 Mbytes Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 28000 -36419.383 -36419.383 -36719.681 -36719.681 290.43783 290.43783 160601.03 160601.03 -140.2635 -140.2635 29000 -36407.493 -36407.493 -36717.202 -36717.202 299.53831 299.53831 160606.71 160606.71 -82.456423 -82.456423 Loop time of 165.729 on 1 procs for 1000 steps with 8000 atoms Performance: 0.521 ns/day, 46.036 hours/ns, 6.034 timesteps/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 165.4 | 165.4 | 165.4 | 0.0 | 99.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.034234 | 0.034234 | 0.034234 | 0.0 | 0.02 Output | 8.7214e-05 | 8.7214e-05 | 8.7214e-05 | 0.0 | 0.00 Modify | 0.26795 | 0.26795 | 0.26795 | 0.0 | 0.16 Other | | 0.03001 | | | 0.02 Nlocal: 8000 ave 8000 max 8000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 7747 ave 7747 max 7747 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 552854 ave 552854 max 552854 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 552854 Ave neighs/atom = 69.10675 Neighbor list builds = 0 Dangerous builds = 0 160582.882267825 LAMMPS calculation completed