Loading examples/body/data.squares 100755 → 100644 +0 −0 File mode changed from 100755 to 100644. View file examples/body/in.squares 100755 → 100644 +0 −0 File mode changed from 100755 to 100644. View file examples/body/in.wall2d 100755 → 100644 +0 −0 File mode changed from 100755 to 100644. View file examples/body/log.5Oct16.body.g++.1→examples/body/log.27Nov18.body.g++.1 +21 −15 Original line number Diff line number Diff line LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018) using 1 OpenMP thread(s) per MPI task # 2d polygon nparticle bodies units lj Loading @@ -14,7 +15,7 @@ read_data data.body velocity all create 1.44 87287 loop geom pair_style body 5.0 pair_style body/nparticle 5.0 pair_coeff * * 1.0 1.0 neighbor 0.5 bin Loading @@ -33,13 +34,18 @@ fix 2 all enforce2d thermo 100 run 10000 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 5.5 ghost atom cutoff = 5.5 binsize = 2.75 -> bins = 12 12 1 Memory usage per processor = 4.44944 Mbytes binsize = 2.75, bins = 12 12 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair body/nparticle, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 4.772 | 4.772 | 4.772 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.642337 -1.0003869 0 0.62552682 0.16140818 Loading Loading @@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press 9800 1.6713187 -1.6842507 0 -0.029645137 0.17982115 9900 1.7707351 -1.6638268 0 0.089200949 0.2983883 10000 1.6466807 -1.592436 0 0.037777866 0.12761693 Loop time of 2.33651 on 1 procs for 10000 steps with 100 atoms Loop time of 1.76365 on 1 procs for 10000 steps with 100 atoms Performance: 1848909.758 tau/day, 4279.884 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads Performance: 2449465.017 tau/day, 5670.058 timesteps/s 98.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.1308 | 2.1308 | 2.1308 | 0.0 | 91.20 Neigh | 0.011168 | 0.011168 | 0.011168 | 0.0 | 0.48 Comm | 0.02469 | 0.02469 | 0.02469 | 0.0 | 1.06 Output | 0.00063729 | 0.00063729 | 0.00063729 | 0.0 | 0.03 Modify | 0.15896 | 0.15896 | 0.15896 | 0.0 | 6.80 Other | | 0.01025 | | | 0.44 Pair | 1.5533 | 1.5533 | 1.5533 | 0.0 | 88.08 Neigh | 0.01155 | 0.01155 | 0.01155 | 0.0 | 0.65 Comm | 0.042146 | 0.042146 | 0.042146 | 0.0 | 2.39 Output | 0.00089574 | 0.00089574 | 0.00089574 | 0.0 | 0.05 Modify | 0.14124 | 0.14124 | 0.14124 | 0.0 | 8.01 Other | | 0.01448 | | | 0.82 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Loading @@ -168,4 +174,4 @@ Total # of neighbors = 467 Ave neighs/atom = 4.67 Neighbor list builds = 468 Dangerous builds = 0 Total wall time: 0:00:02 Total wall time: 0:00:01 examples/body/log.5Oct16.body.g++.4→examples/body/log.27Nov18.body.g++.4 +20 −14 Original line number Diff line number Diff line LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018) using 1 OpenMP thread(s) per MPI task # 2d polygon nparticle bodies units lj Loading @@ -14,7 +15,7 @@ read_data data.body velocity all create 1.44 87287 loop geom pair_style body 5.0 pair_style body/nparticle 5.0 pair_coeff * * 1.0 1.0 neighbor 0.5 bin Loading @@ -33,13 +34,18 @@ fix 2 all enforce2d thermo 100 run 10000 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 5.5 ghost atom cutoff = 5.5 binsize = 2.75 -> bins = 12 12 1 Memory usage per processor = 4.43864 Mbytes binsize = 2.75, bins = 12 12 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair body/nparticle, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 4.759 | 4.759 | 4.759 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.642337 -1.0003869 0 0.62552682 0.16140818 Loading Loading @@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press 9800 1.7799071 -1.7889616 0 -0.026853542 0.3169291 9900 1.5838158 -1.718909 0 -0.15093133 0.46050618 10000 1.6100625 -1.7018091 0 -0.10784725 0.10312591 Loop time of 0.849795 on 4 procs for 10000 steps with 100 atoms Loop time of 0.715445 on 4 procs for 10000 steps with 100 atoms Performance: 5083579.790 tau/day, 11767.546 timesteps/s 99.0% CPU use with 4 MPI tasks x no OpenMP threads Performance: 6038199.147 tau/day, 13977.313 timesteps/s 95.9% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.47067 | 0.53757 | 0.61119 | 7.9 | 63.26 Neigh | 0.0030298 | 0.0032511 | 0.0035295 | 0.3 | 0.38 Comm | 0.1592 | 0.23416 | 0.30247 | 12.4 | 27.56 Output | 0.0015244 | 0.0016521 | 0.0018895 | 0.4 | 0.19 Modify | 0.039954 | 0.0415 | 0.044199 | 0.8 | 4.88 Other | | 0.03166 | | | 3.73 Pair | 0.35395 | 0.40307 | 0.45588 | 5.9 | 56.34 Neigh | 0.0033705 | 0.0036112 | 0.0039394 | 0.4 | 0.50 Comm | 0.17564 | 0.22399 | 0.26912 | 7.8 | 31.31 Output | 0.0014601 | 0.0024824 | 0.0054784 | 3.5 | 0.35 Modify | 0.038037 | 0.039219 | 0.04163 | 0.7 | 5.48 Other | | 0.04308 | | | 6.02 Nlocal: 25 ave 28 max 23 min Histogram: 1 0 1 0 1 0 0 0 0 1 Loading Loading
examples/body/log.5Oct16.body.g++.1→examples/body/log.27Nov18.body.g++.1 +21 −15 Original line number Diff line number Diff line LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018) using 1 OpenMP thread(s) per MPI task # 2d polygon nparticle bodies units lj Loading @@ -14,7 +15,7 @@ read_data data.body velocity all create 1.44 87287 loop geom pair_style body 5.0 pair_style body/nparticle 5.0 pair_coeff * * 1.0 1.0 neighbor 0.5 bin Loading @@ -33,13 +34,18 @@ fix 2 all enforce2d thermo 100 run 10000 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 5.5 ghost atom cutoff = 5.5 binsize = 2.75 -> bins = 12 12 1 Memory usage per processor = 4.44944 Mbytes binsize = 2.75, bins = 12 12 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair body/nparticle, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 4.772 | 4.772 | 4.772 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.642337 -1.0003869 0 0.62552682 0.16140818 Loading Loading @@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press 9800 1.6713187 -1.6842507 0 -0.029645137 0.17982115 9900 1.7707351 -1.6638268 0 0.089200949 0.2983883 10000 1.6466807 -1.592436 0 0.037777866 0.12761693 Loop time of 2.33651 on 1 procs for 10000 steps with 100 atoms Loop time of 1.76365 on 1 procs for 10000 steps with 100 atoms Performance: 1848909.758 tau/day, 4279.884 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads Performance: 2449465.017 tau/day, 5670.058 timesteps/s 98.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.1308 | 2.1308 | 2.1308 | 0.0 | 91.20 Neigh | 0.011168 | 0.011168 | 0.011168 | 0.0 | 0.48 Comm | 0.02469 | 0.02469 | 0.02469 | 0.0 | 1.06 Output | 0.00063729 | 0.00063729 | 0.00063729 | 0.0 | 0.03 Modify | 0.15896 | 0.15896 | 0.15896 | 0.0 | 6.80 Other | | 0.01025 | | | 0.44 Pair | 1.5533 | 1.5533 | 1.5533 | 0.0 | 88.08 Neigh | 0.01155 | 0.01155 | 0.01155 | 0.0 | 0.65 Comm | 0.042146 | 0.042146 | 0.042146 | 0.0 | 2.39 Output | 0.00089574 | 0.00089574 | 0.00089574 | 0.0 | 0.05 Modify | 0.14124 | 0.14124 | 0.14124 | 0.0 | 8.01 Other | | 0.01448 | | | 0.82 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Loading @@ -168,4 +174,4 @@ Total # of neighbors = 467 Ave neighs/atom = 4.67 Neighbor list builds = 468 Dangerous builds = 0 Total wall time: 0:00:02 Total wall time: 0:00:01
examples/body/log.5Oct16.body.g++.4→examples/body/log.27Nov18.body.g++.4 +20 −14 Original line number Diff line number Diff line LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018) using 1 OpenMP thread(s) per MPI task # 2d polygon nparticle bodies units lj Loading @@ -14,7 +15,7 @@ read_data data.body velocity all create 1.44 87287 loop geom pair_style body 5.0 pair_style body/nparticle 5.0 pair_coeff * * 1.0 1.0 neighbor 0.5 bin Loading @@ -33,13 +34,18 @@ fix 2 all enforce2d thermo 100 run 10000 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 5.5 ghost atom cutoff = 5.5 binsize = 2.75 -> bins = 12 12 1 Memory usage per processor = 4.43864 Mbytes binsize = 2.75, bins = 12 12 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair body/nparticle, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 4.759 | 4.759 | 4.759 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.642337 -1.0003869 0 0.62552682 0.16140818 Loading Loading @@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press 9800 1.7799071 -1.7889616 0 -0.026853542 0.3169291 9900 1.5838158 -1.718909 0 -0.15093133 0.46050618 10000 1.6100625 -1.7018091 0 -0.10784725 0.10312591 Loop time of 0.849795 on 4 procs for 10000 steps with 100 atoms Loop time of 0.715445 on 4 procs for 10000 steps with 100 atoms Performance: 5083579.790 tau/day, 11767.546 timesteps/s 99.0% CPU use with 4 MPI tasks x no OpenMP threads Performance: 6038199.147 tau/day, 13977.313 timesteps/s 95.9% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.47067 | 0.53757 | 0.61119 | 7.9 | 63.26 Neigh | 0.0030298 | 0.0032511 | 0.0035295 | 0.3 | 0.38 Comm | 0.1592 | 0.23416 | 0.30247 | 12.4 | 27.56 Output | 0.0015244 | 0.0016521 | 0.0018895 | 0.4 | 0.19 Modify | 0.039954 | 0.0415 | 0.044199 | 0.8 | 4.88 Other | | 0.03166 | | | 3.73 Pair | 0.35395 | 0.40307 | 0.45588 | 5.9 | 56.34 Neigh | 0.0033705 | 0.0036112 | 0.0039394 | 0.4 | 0.50 Comm | 0.17564 | 0.22399 | 0.26912 | 7.8 | 31.31 Output | 0.0014601 | 0.0024824 | 0.0054784 | 3.5 | 0.35 Modify | 0.038037 | 0.039219 | 0.04163 | 0.7 | 5.48 Other | | 0.04308 | | | 6.02 Nlocal: 25 ave 28 max 23 min Histogram: 1 0 1 0 1 0 0 0 0 1 Loading
