Loading examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +18 −18 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 = 0.028 secs read_data CPU = 0.032 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,17 +33,17 @@ 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, half/full from (2) (1) pair eam, perpetual attributes: half, newton on pair build: halffull/newton stencil: none bin: none pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard (2) fix orient/eco, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 107.4 | 107.4 | 107.4 Mbytes Per MPI rank memory allocation (min/avg/max) = 114 | 114 | 114 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 Loading @@ -54,22 +54,22 @@ Step Temp TotEng Press Volume f_eco 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 -108741.73 365.8898 289827.26 -9.8340949 900 704.83039 -108741.73 365.88979 289827.26 -9.8340949 1000 734.71441 -108502.96 1119.6572 290190 -12.049805 Loop time of 116.807 on 1 procs for 1000 steps with 25600 atoms Loop time of 117.274 on 1 procs for 1000 steps with 25600 atoms Performance: 0.740 ns/day, 32.446 hours/ns, 8.561 timesteps/s 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.131 | 27.131 | 27.131 | 0.0 | 23.23 Neigh | 0.83119 | 0.83119 | 0.83119 | 0.0 | 0.71 Comm | 0.13038 | 0.13038 | 0.13038 | 0.0 | 0.11 Output | 0.00079226 | 0.00079226 | 0.00079226 | 0.0 | 0.00 Modify | 88.626 | 88.626 | 88.626 | 0.0 | 75.87 Other | | 0.08717 | | | 0.07 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 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 +21 −21 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 = 0.329 secs read_data CPU = 0.022 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,17 +33,17 @@ 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, half/full from (2) (1) pair eam, perpetual attributes: half, newton on pair build: halffull/newton stencil: none bin: none pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard (2) fix orient/eco, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 31.41 | 31.5 | 31.6 Mbytes Per MPI rank memory allocation (min/avg/max) = 33.73 | 33.82 | 33.92 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 Loading @@ -56,27 +56,27 @@ Step Temp TotEng Press Volume f_eco 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 42.9059 on 4 procs for 1000 steps with 25600 atoms Loop time of 36.3118 on 4 procs for 1000 steps with 25600 atoms Performance: 2.014 ns/day, 11.918 hours/ns, 23.307 timesteps/s 92.9% CPU use with 4 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.702 | 7.8512 | 8.0322 | 4.3 | 18.30 Neigh | 0.21251 | 0.22612 | 0.24124 | 2.3 | 0.53 Comm | 0.58286 | 0.84708 | 1.0824 | 19.5 | 1.97 Output | 0.040286 | 0.048071 | 0.060272 | 3.8 | 0.11 Modify | 33.411 | 33.509 | 33.606 | 1.3 | 78.10 Other | | 0.4242 | | | 0.99 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 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 401713 max 393565 min Histogram: 1 1 0 0 0 0 0 0 1 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 Loading @@ -87,4 +87,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:43 Total wall time: 0:00:36 Loading
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +18 −18 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 = 0.028 secs read_data CPU = 0.032 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,17 +33,17 @@ 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, half/full from (2) (1) pair eam, perpetual attributes: half, newton on pair build: halffull/newton stencil: none bin: none pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard (2) fix orient/eco, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 107.4 | 107.4 | 107.4 Mbytes Per MPI rank memory allocation (min/avg/max) = 114 | 114 | 114 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 Loading @@ -54,22 +54,22 @@ Step Temp TotEng Press Volume f_eco 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 -108741.73 365.8898 289827.26 -9.8340949 900 704.83039 -108741.73 365.88979 289827.26 -9.8340949 1000 734.71441 -108502.96 1119.6572 290190 -12.049805 Loop time of 116.807 on 1 procs for 1000 steps with 25600 atoms Loop time of 117.274 on 1 procs for 1000 steps with 25600 atoms Performance: 0.740 ns/day, 32.446 hours/ns, 8.561 timesteps/s 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 27.131 | 27.131 | 27.131 | 0.0 | 23.23 Neigh | 0.83119 | 0.83119 | 0.83119 | 0.0 | 0.71 Comm | 0.13038 | 0.13038 | 0.13038 | 0.0 | 0.11 Output | 0.00079226 | 0.00079226 | 0.00079226 | 0.0 | 0.00 Modify | 88.626 | 88.626 | 88.626 | 0.0 | 75.87 Other | | 0.08717 | | | 0.07 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 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 +21 −21 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 = 0.329 secs read_data CPU = 0.022 secs pair_style eam pair_coeff * * Ni_u3.eam Loading @@ -33,17 +33,17 @@ 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, half/full from (2) (1) pair eam, perpetual attributes: half, newton on pair build: halffull/newton stencil: none bin: none pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard (2) fix orient/eco, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d attributes: full, newton on, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 31.41 | 31.5 | 31.6 Mbytes Per MPI rank memory allocation (min/avg/max) = 33.73 | 33.82 | 33.92 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 Loading @@ -56,27 +56,27 @@ Step Temp TotEng Press Volume f_eco 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 42.9059 on 4 procs for 1000 steps with 25600 atoms Loop time of 36.3118 on 4 procs for 1000 steps with 25600 atoms Performance: 2.014 ns/day, 11.918 hours/ns, 23.307 timesteps/s 92.9% CPU use with 4 MPI tasks x 1 OpenMP threads 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 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 7.702 | 7.8512 | 8.0322 | 4.3 | 18.30 Neigh | 0.21251 | 0.22612 | 0.24124 | 2.3 | 0.53 Comm | 0.58286 | 0.84708 | 1.0824 | 19.5 | 1.97 Output | 0.040286 | 0.048071 | 0.060272 | 3.8 | 0.11 Modify | 33.411 | 33.509 | 33.606 | 1.3 | 78.10 Other | | 0.4242 | | | 0.99 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 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 401713 max 393565 min Histogram: 1 1 0 0 0 0 0 0 1 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 Loading @@ -87,4 +87,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:43 Total wall time: 0:00:36
