Loading examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +34 −34 Original line number Diff line number Diff line Loading @@ -8,7 +8,7 @@ read_data data.sigma5 1 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.032 secs read_data CPU = 0.021 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,58 +33,58 @@ Neighbor list info ... ghost atom cutoff = 6.8 binsize = 3.4, bins = 54 27 6 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair eam, perpetual (1) pair eam, perpetual, half/full from (2) attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard pair build: halffull/newton stencil: none bin: none (2) fix orient/eco, perpetual attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 114 | 114 | 114 Mbytes Per MPI rank memory allocation (min/avg/max) = 42.15 | 42.15 | 42.15 Mbytes Step Temp TotEng Press Volume f_eco 0 750 -111027.95 15148.458 279755.85 8.7507522e-10 100 422.27806 -110928.76 213.95562 285332.65 -0.9445869 200 388.82804 -110721.03 -482.03081 286441.76 -0.62401498 300 441.96877 -110478.76 -174.17824 286638.76 -0.84438548 400 486.68584 -110211.69 60.449185 287024.35 -1.1228851 500 530.74819 -109923.82 96.672717 287554.06 -2.2396258 600 569.97656 -109623.63 -77.584646 288223.23 -3.1029924 700 615.98095 -109318.75 -64.920979 288793.81 -5.0459701 800 664.91881 -109021.02 -62.347415 289323.84 -6.1930838 900 704.83039 -108741.73 365.88979 289827.26 -9.8340949 1000 734.71441 -108502.96 1119.6572 290190 -12.049805 Loop time of 117.274 on 1 procs for 1000 steps with 25600 atoms 100 422.2475 -110928.85 214.27204 285332.91 -1.0089186 200 388.79514 -110721.02 -481.9574 286443.13 -0.78446905 300 441.87285 -110478.56 -174.88288 286640.75 -1.1348357 400 486.71094 -110211.6 65.075638 287023.56 -1.495318 500 531.12815 -109923.33 97.309245 287552.73 -2.9498072 600 569.82126 -109622.61 -85.73157 288229.35 -4.2855812 700 615.84724 -109317.16 -52.508824 288799.86 -6.5214427 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 Performance: 0.737 ns/day, 32.576 hours/ns, 8.527 timesteps/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.364 | 27.364 | 27.364 | 0.0 | 23.33 Neigh | 1.7771 | 1.7771 | 1.7771 | 0.0 | 1.52 Comm | 0.13003 | 0.13003 | 0.13003 | 0.0 | 0.11 Output | 0.00078893 | 0.00078893 | 0.00078893 | 0.0 | 0.00 Modify | 87.918 | 87.918 | 87.918 | 0.0 | 74.97 Other | | 0.0842 | | | 0.07 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 Nlocal: 25600 ave 25600 max 25600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 28247 ave 28247 max 28247 min Nghost: 28259 ave 28259 max 28259 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1.59182e+06 ave 1.59182e+06 max 1.59182e+06 min Neighs: 1.59326e+06 ave 1.59326e+06 max 1.59326e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 3.18365e+06 ave 3.18365e+06 max 3.18365e+06 min FullNghs: 3.18651e+06 ave 3.18651e+06 max 3.18651e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3183648 Ave neighs/atom = 124.361 Total # of neighbors = 3186510 Ave neighs/atom = 124.473 Neighbor list builds = 10 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:01:57 Total wall time: 0:01:50 examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 +39 −39 Original line number Diff line number Diff line Loading @@ -8,7 +8,7 @@ read_data data.sigma5 4 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.022 secs read_data CPU = 0.038 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,58 +33,58 @@ Neighbor list info ... ghost atom cutoff = 6.8 binsize = 3.4, bins = 54 27 6 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair eam, perpetual (1) pair eam, perpetual, half/full from (2) attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard pair build: halffull/newton stencil: none bin: none (2) fix orient/eco, perpetual attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 33.73 | 33.82 | 33.92 Mbytes Per MPI rank memory allocation (min/avg/max) = 11.69 | 11.7 | 11.72 Mbytes Step Temp TotEng Press Volume f_eco 0 750 -111027.95 15148.458 279755.85 8.749339e-10 100 422.2681 -110928.91 213.80039 285331.89 -0.89527716 200 388.81794 -110721.17 -481.38349 286440.76 -0.58341827 300 441.89999 -110478.99 -175.70299 286638.58 -0.74804169 400 486.69333 -110212.01 61.917355 287023.71 -0.83525384 500 530.62012 -109924.46 96.49276 287552 -1.7328841 600 569.89036 -109624.5 -78.252217 288224.25 -2.3216775 700 615.71719 -109319.76 -61.072041 288795.44 -3.7080665 800 664.86797 -109021.92 -52.316387 289313.22 -4.603192 900 703.88411 -108742.88 329.87308 289838.93 -8.1835743 1000 734.57012 -108504.44 1032.3825 290208.8 -9.5778417 Loop time of 36.3118 on 4 procs for 1000 steps with 25600 atoms 100 422.2475 -110928.85 214.27204 285332.91 -1.0089186 200 388.79514 -110721.02 -481.9574 286443.13 -0.78446905 300 441.87285 -110478.56 -174.88288 286640.75 -1.1348357 400 486.71094 -110211.6 65.075638 287023.56 -1.495318 500 531.12815 -109923.33 97.309245 287552.73 -2.9498072 600 569.82126 -109622.61 -85.73157 288229.35 -4.2855812 700 615.84724 -109317.16 -52.508824 288799.86 -6.5214427 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 Performance: 2.379 ns/day, 10.087 hours/ns, 27.539 timesteps/s 96.5% CPU use with 4 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.2322 | 7.2862 | 7.3582 | 1.7 | 20.07 Neigh | 0.50594 | 0.50825 | 0.51098 | 0.3 | 1.40 Comm | 0.20657 | 0.29868 | 0.37614 | 11.6 | 0.82 Output | 0.00052929 | 0.00080693 | 0.0016012 | 0.0 | 0.00 Modify | 28.13 | 28.154 | 28.185 | 0.5 | 77.53 Other | | 0.06384 | | | 0.18 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 Nlocal: 6400 ave 6429 max 6369 min Histogram: 1 1 0 0 0 0 0 0 0 2 Nghost: 9867.75 ave 9885 max 9846 min Histogram: 1 0 0 0 1 0 0 1 0 1 Neighs: 397746 ave 402254 max 393369 min Histogram: 1 1 0 0 0 0 0 1 0 1 FullNghs: 795492 ave 802928 max 788138 min Histogram: 1 1 0 0 0 0 0 0 1 1 Nlocal: 6400 ave 6421 max 6384 min Histogram: 1 1 0 0 0 1 0 0 0 1 Nghost: 9872.5 ave 9892 max 9855 min Histogram: 1 0 0 1 0 1 0 0 0 1 Neighs: 398314 ave 400737 max 395743 min Histogram: 1 0 0 1 0 0 0 1 0 1 FullNghs: 796628 ave 801194 max 792566 min Histogram: 1 0 1 0 0 0 1 0 0 1 Total # of neighbors = 3181966 Ave neighs/atom = 124.296 Total # of neighbors = 3186510 Ave neighs/atom = 124.473 Neighbor list builds = 10 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:36 Total wall time: 0:00:30 Loading
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +34 −34 Original line number Diff line number Diff line Loading @@ -8,7 +8,7 @@ read_data data.sigma5 1 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.032 secs read_data CPU = 0.021 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,58 +33,58 @@ Neighbor list info ... ghost atom cutoff = 6.8 binsize = 3.4, bins = 54 27 6 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair eam, perpetual (1) pair eam, perpetual, half/full from (2) attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard pair build: halffull/newton stencil: none bin: none (2) fix orient/eco, perpetual attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 114 | 114 | 114 Mbytes Per MPI rank memory allocation (min/avg/max) = 42.15 | 42.15 | 42.15 Mbytes Step Temp TotEng Press Volume f_eco 0 750 -111027.95 15148.458 279755.85 8.7507522e-10 100 422.27806 -110928.76 213.95562 285332.65 -0.9445869 200 388.82804 -110721.03 -482.03081 286441.76 -0.62401498 300 441.96877 -110478.76 -174.17824 286638.76 -0.84438548 400 486.68584 -110211.69 60.449185 287024.35 -1.1228851 500 530.74819 -109923.82 96.672717 287554.06 -2.2396258 600 569.97656 -109623.63 -77.584646 288223.23 -3.1029924 700 615.98095 -109318.75 -64.920979 288793.81 -5.0459701 800 664.91881 -109021.02 -62.347415 289323.84 -6.1930838 900 704.83039 -108741.73 365.88979 289827.26 -9.8340949 1000 734.71441 -108502.96 1119.6572 290190 -12.049805 Loop time of 117.274 on 1 procs for 1000 steps with 25600 atoms 100 422.2475 -110928.85 214.27204 285332.91 -1.0089186 200 388.79514 -110721.02 -481.9574 286443.13 -0.78446905 300 441.87285 -110478.56 -174.88288 286640.75 -1.1348357 400 486.71094 -110211.6 65.075638 287023.56 -1.495318 500 531.12815 -109923.33 97.309245 287552.73 -2.9498072 600 569.82126 -109622.61 -85.73157 288229.35 -4.2855812 700 615.84724 -109317.16 -52.508824 288799.86 -6.5214427 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 Performance: 0.737 ns/day, 32.576 hours/ns, 8.527 timesteps/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.364 | 27.364 | 27.364 | 0.0 | 23.33 Neigh | 1.7771 | 1.7771 | 1.7771 | 0.0 | 1.52 Comm | 0.13003 | 0.13003 | 0.13003 | 0.0 | 0.11 Output | 0.00078893 | 0.00078893 | 0.00078893 | 0.0 | 0.00 Modify | 87.918 | 87.918 | 87.918 | 0.0 | 74.97 Other | | 0.0842 | | | 0.07 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 Nlocal: 25600 ave 25600 max 25600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 28247 ave 28247 max 28247 min Nghost: 28259 ave 28259 max 28259 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1.59182e+06 ave 1.59182e+06 max 1.59182e+06 min Neighs: 1.59326e+06 ave 1.59326e+06 max 1.59326e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 3.18365e+06 ave 3.18365e+06 max 3.18365e+06 min FullNghs: 3.18651e+06 ave 3.18651e+06 max 3.18651e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3183648 Ave neighs/atom = 124.361 Total # of neighbors = 3186510 Ave neighs/atom = 124.473 Neighbor list builds = 10 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:01:57 Total wall time: 0:01:50
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 +39 −39 Original line number Diff line number Diff line Loading @@ -8,7 +8,7 @@ read_data data.sigma5 4 by 1 by 1 MPI processor grid reading atoms ... 25600 atoms read_data CPU = 0.022 secs read_data CPU = 0.038 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,58 +33,58 @@ Neighbor list info ... ghost atom cutoff = 6.8 binsize = 3.4, bins = 54 27 6 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair eam, perpetual (1) pair eam, perpetual, half/full from (2) attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard pair build: halffull/newton stencil: none bin: none (2) fix orient/eco, perpetual attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 33.73 | 33.82 | 33.92 Mbytes Per MPI rank memory allocation (min/avg/max) = 11.69 | 11.7 | 11.72 Mbytes Step Temp TotEng Press Volume f_eco 0 750 -111027.95 15148.458 279755.85 8.749339e-10 100 422.2681 -110928.91 213.80039 285331.89 -0.89527716 200 388.81794 -110721.17 -481.38349 286440.76 -0.58341827 300 441.89999 -110478.99 -175.70299 286638.58 -0.74804169 400 486.69333 -110212.01 61.917355 287023.71 -0.83525384 500 530.62012 -109924.46 96.49276 287552 -1.7328841 600 569.89036 -109624.5 -78.252217 288224.25 -2.3216775 700 615.71719 -109319.76 -61.072041 288795.44 -3.7080665 800 664.86797 -109021.92 -52.316387 289313.22 -4.603192 900 703.88411 -108742.88 329.87308 289838.93 -8.1835743 1000 734.57012 -108504.44 1032.3825 290208.8 -9.5778417 Loop time of 36.3118 on 4 procs for 1000 steps with 25600 atoms 100 422.2475 -110928.85 214.27204 285332.91 -1.0089186 200 388.79514 -110721.02 -481.9574 286443.13 -0.78446905 300 441.87285 -110478.56 -174.88288 286640.75 -1.1348357 400 486.71094 -110211.6 65.075638 287023.56 -1.495318 500 531.12815 -109923.33 97.309245 287552.73 -2.9498072 600 569.82126 -109622.61 -85.73157 288229.35 -4.2855812 700 615.84724 -109317.16 -52.508824 288799.86 -6.5214427 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 Performance: 2.379 ns/day, 10.087 hours/ns, 27.539 timesteps/s 96.5% CPU use with 4 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.2322 | 7.2862 | 7.3582 | 1.7 | 20.07 Neigh | 0.50594 | 0.50825 | 0.51098 | 0.3 | 1.40 Comm | 0.20657 | 0.29868 | 0.37614 | 11.6 | 0.82 Output | 0.00052929 | 0.00080693 | 0.0016012 | 0.0 | 0.00 Modify | 28.13 | 28.154 | 28.185 | 0.5 | 77.53 Other | | 0.06384 | | | 0.18 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 Nlocal: 6400 ave 6429 max 6369 min Histogram: 1 1 0 0 0 0 0 0 0 2 Nghost: 9867.75 ave 9885 max 9846 min Histogram: 1 0 0 0 1 0 0 1 0 1 Neighs: 397746 ave 402254 max 393369 min Histogram: 1 1 0 0 0 0 0 1 0 1 FullNghs: 795492 ave 802928 max 788138 min Histogram: 1 1 0 0 0 0 0 0 1 1 Nlocal: 6400 ave 6421 max 6384 min Histogram: 1 1 0 0 0 1 0 0 0 1 Nghost: 9872.5 ave 9892 max 9855 min Histogram: 1 0 0 1 0 1 0 0 0 1 Neighs: 398314 ave 400737 max 395743 min Histogram: 1 0 0 1 0 0 0 1 0 1 FullNghs: 796628 ave 801194 max 792566 min Histogram: 1 0 1 0 0 0 1 0 0 1 Total # of neighbors = 3181966 Ave neighs/atom = 124.296 Total # of neighbors = 3186510 Ave neighs/atom = 124.473 Neighbor list builds = 10 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:36 Total wall time: 0:00:30
