Loading examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +12 −11 Original line number Diff line number Diff line Loading @@ -8,11 +8,12 @@ read_data data.sigma5 1 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.021 secs read_data CPU = 0.020 secs pair_style eam pair_coeff * * Ni_u3.eam Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001 Reading potential file Ni_u3.eam with DATE: 2007-06-11 timestep 0.001 fix integrator all npt temp 750 750 0.1 iso 0 0 0.1 fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori Loading Loading @@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco 800 666.09015 -109018.62 38.120383 289305.37 -8.4745641 900 705.03939 -108738.66 263.39673 289867.87 -12.4514 1000 735.59866 -108500.52 242.46405 290353.65 -15.427653 Loop time of 110.19 on 1 procs for 1000 steps with 25600 atoms Loop time of 109.966 on 1 procs for 1000 steps with 25600 atoms Performance: 0.784 ns/day, 30.608 hours/ns, 9.075 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads Performance: 0.786 ns/day, 30.546 hours/ns, 9.094 timesteps/s 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.143 | 27.143 | 27.143 | 0.0 | 24.63 Neigh | 0.83015 | 0.83015 | 0.83015 | 0.0 | 0.75 Comm | 0.12639 | 0.12639 | 0.12639 | 0.0 | 0.11 Output | 0.00078273 | 0.00078273 | 0.00078273 | 0.0 | 0.00 Modify | 82.003 | 82.003 | 82.003 | 0.0 | 74.42 Other | | 0.08703 | | | 0.08 Pair | 27.002 | 27.002 | 27.002 | 0.0 | 24.55 Neigh | 0.83228 | 0.83228 | 0.83228 | 0.0 | 0.76 Comm | 0.12623 | 0.12623 | 0.12623 | 0.0 | 0.11 Output | 0.00080323 | 0.00080323 | 0.00080323 | 0.0 | 0.00 Modify | 81.917 | 81.917 | 81.917 | 0.0 | 74.49 Other | | 0.08839 | | | 0.08 Nlocal: 25600 ave 25600 max 25600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Loading examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 +13 −12 Original line number Diff line number Diff line Loading @@ -8,11 +8,12 @@ read_data data.sigma5 4 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.038 secs read_data CPU = 0.025 secs pair_style eam pair_coeff * * Ni_u3.eam Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001 Reading potential file Ni_u3.eam with DATE: 2007-06-11 timestep 0.001 fix integrator all npt temp 750 750 0.1 iso 0 0 0.1 fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori Loading Loading @@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco 800 666.09015 -109018.62 38.120383 289305.37 -8.4745641 900 705.03939 -108738.66 263.39673 289867.87 -12.4514 1000 735.59866 -108500.52 242.46405 290353.65 -15.427653 Loop time of 30.0111 on 4 procs for 1000 steps with 25600 atoms Loop time of 29.6634 on 4 procs for 1000 steps with 25600 atoms Performance: 2.879 ns/day, 8.336 hours/ns, 33.321 timesteps/s 98.0% CPU use with 4 MPI tasks x 1 OpenMP threads Performance: 2.913 ns/day, 8.240 hours/ns, 33.712 timesteps/s 98.6% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.1139 | 7.1437 | 7.1983 | 1.2 | 23.80 Neigh | 0.2101 | 0.21208 | 0.21316 | 0.3 | 0.71 Comm | 0.15491 | 0.20327 | 0.23586 | 6.8 | 0.68 Output | 0.00033617 | 0.00064594 | 0.0015616 | 0.0 | 0.00 Modify | 22.39 | 22.403 | 22.431 | 0.3 | 74.65 Other | | 0.04802 | | | 0.16 Pair | 7.0794 | 7.1053 | 7.1325 | 0.7 | 23.95 Neigh | 0.20947 | 0.21088 | 0.21231 | 0.2 | 0.71 Comm | 0.15708 | 0.18471 | 0.22338 | 6.7 | 0.62 Output | 0.00032616 | 0.00064683 | 0.0015936 | 0.0 | 0.00 Modify | 22.105 | 22.118 | 22.139 | 0.3 | 74.56 Other | | 0.0437 | | | 0.15 Nlocal: 6400 ave 6421 max 6384 min Histogram: 1 1 0 0 0 1 0 0 0 1 Loading @@ -87,4 +88,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:30 Total wall time: 0:00:29 Loading
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +12 −11 Original line number Diff line number Diff line Loading @@ -8,11 +8,12 @@ read_data data.sigma5 1 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.021 secs read_data CPU = 0.020 secs pair_style eam pair_coeff * * Ni_u3.eam Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001 Reading potential file Ni_u3.eam with DATE: 2007-06-11 timestep 0.001 fix integrator all npt temp 750 750 0.1 iso 0 0 0.1 fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori Loading Loading @@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco 800 666.09015 -109018.62 38.120383 289305.37 -8.4745641 900 705.03939 -108738.66 263.39673 289867.87 -12.4514 1000 735.59866 -108500.52 242.46405 290353.65 -15.427653 Loop time of 110.19 on 1 procs for 1000 steps with 25600 atoms Loop time of 109.966 on 1 procs for 1000 steps with 25600 atoms Performance: 0.784 ns/day, 30.608 hours/ns, 9.075 timesteps/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads Performance: 0.786 ns/day, 30.546 hours/ns, 9.094 timesteps/s 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.143 | 27.143 | 27.143 | 0.0 | 24.63 Neigh | 0.83015 | 0.83015 | 0.83015 | 0.0 | 0.75 Comm | 0.12639 | 0.12639 | 0.12639 | 0.0 | 0.11 Output | 0.00078273 | 0.00078273 | 0.00078273 | 0.0 | 0.00 Modify | 82.003 | 82.003 | 82.003 | 0.0 | 74.42 Other | | 0.08703 | | | 0.08 Pair | 27.002 | 27.002 | 27.002 | 0.0 | 24.55 Neigh | 0.83228 | 0.83228 | 0.83228 | 0.0 | 0.76 Comm | 0.12623 | 0.12623 | 0.12623 | 0.0 | 0.11 Output | 0.00080323 | 0.00080323 | 0.00080323 | 0.0 | 0.00 Modify | 81.917 | 81.917 | 81.917 | 0.0 | 74.49 Other | | 0.08839 | | | 0.08 Nlocal: 25600 ave 25600 max 25600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Loading
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 +13 −12 Original line number Diff line number Diff line Loading @@ -8,11 +8,12 @@ read_data data.sigma5 4 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.038 secs read_data CPU = 0.025 secs pair_style eam pair_coeff * * Ni_u3.eam Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001 Reading potential file Ni_u3.eam with DATE: 2007-06-11 timestep 0.001 fix integrator all npt temp 750 750 0.1 iso 0 0 0.1 fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori Loading Loading @@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco 800 666.09015 -109018.62 38.120383 289305.37 -8.4745641 900 705.03939 -108738.66 263.39673 289867.87 -12.4514 1000 735.59866 -108500.52 242.46405 290353.65 -15.427653 Loop time of 30.0111 on 4 procs for 1000 steps with 25600 atoms Loop time of 29.6634 on 4 procs for 1000 steps with 25600 atoms Performance: 2.879 ns/day, 8.336 hours/ns, 33.321 timesteps/s 98.0% CPU use with 4 MPI tasks x 1 OpenMP threads Performance: 2.913 ns/day, 8.240 hours/ns, 33.712 timesteps/s 98.6% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.1139 | 7.1437 | 7.1983 | 1.2 | 23.80 Neigh | 0.2101 | 0.21208 | 0.21316 | 0.3 | 0.71 Comm | 0.15491 | 0.20327 | 0.23586 | 6.8 | 0.68 Output | 0.00033617 | 0.00064594 | 0.0015616 | 0.0 | 0.00 Modify | 22.39 | 22.403 | 22.431 | 0.3 | 74.65 Other | | 0.04802 | | | 0.16 Pair | 7.0794 | 7.1053 | 7.1325 | 0.7 | 23.95 Neigh | 0.20947 | 0.21088 | 0.21231 | 0.2 | 0.71 Comm | 0.15708 | 0.18471 | 0.22338 | 6.7 | 0.62 Output | 0.00032616 | 0.00064683 | 0.0015936 | 0.0 | 0.00 Modify | 22.105 | 22.118 | 22.139 | 0.3 | 74.56 Other | | 0.0437 | | | 0.15 Nlocal: 6400 ave 6421 max 6384 min Histogram: 1 1 0 0 0 1 0 0 0 1 Loading @@ -87,4 +88,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:30 Total wall time: 0:00:29
