diff --git a/examples/COUPLE/simple/log.lammps b/examples/COUPLE/simple/log.lammps deleted file mode 100644 index dfea79167e..0000000000 --- a/examples/COUPLE/simple/log.lammps +++ /dev/null @@ -1,150 +0,0 @@ -LAMMPS (14 Aug 2012) -# 3d Lennard-Jones melt - - - -units lj - -atom_style atomic - -atom_modify map array - - - -lattice fcc 0.8442 - -Lattice spacing in x,y,z = 1.6796 1.6796 1.6796 -region box block 0 4 0 4 0 4 - -create_box 1 box - -Created orthogonal box = (0 0 0) to (6.71838 6.71838 6.71838) - 1 by 1 by 1 MPI processor grid -create_atoms 1 box - -Created 256 atoms -mass 1 1.0 - - - -velocity all create 1.44 87287 loop geom - - - -pair_style lj/cut 2.5 - -pair_coeff 1 1 1.0 1.0 2.5 - - - -neighbor 0.3 bin - -neigh_modify delay 0 every 20 check no - - - -fix 1 all nve - - - -run 10 - -Memory usage per processor = 1.82446 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 1.44 -6.7733681 0 -4.6218056 -5.0244179 - 10 1.1298532 -6.3095502 0 -4.6213906 -2.6058175 -Loop time of 0.00204515 on 1 procs for 10 steps with 256 atoms - -Pair time (%) = 0.00186634 (91.2567) -Neigh time (%) = 0 (0) -Comm time (%) = 0.000108242 (5.29261) -Outpt time (%) = 7.86781e-06 (0.384705) -Other time (%) = 6.27041e-05 (3.06598) - -Nlocal: 256 ave 256 max 256 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 1431 ave 1431 max 1431 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 9984 ave 9984 max 9984 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 9984 -Ave neighs/atom = 39 -Neighbor list builds = 0 -Dangerous builds = 0 - - -run 10 -Memory usage per processor = 1.82446 Mbytes -Step Temp E_pair E_mol TotEng Press - 10 1.1298532 -6.3095502 0 -4.6213906 -2.6058175 - 20 0.6239063 -5.557644 0 -4.6254403 0.97451173 -Loop time of 0.00205898 on 1 procs for 10 steps with 256 atoms - -Pair time (%) = 0.00188446 (91.5239) -Neigh time (%) = 0 (0) -Comm time (%) = 0.000113249 (5.50023) -Outpt time (%) = 7.86781e-06 (0.382121) -Other time (%) = 5.34058e-05 (2.59379) - -Nlocal: 256 ave 256 max 256 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 1431 ave 1431 max 1431 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 9952 ave 9952 max 9952 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 9952 -Ave neighs/atom = 38.875 -Neighbor list builds = 0 -Dangerous builds = 0 -print 'Hello' -Hello -run 100 -Memory usage per processor = 1.82446 Mbytes -Step Temp E_pair E_mol TotEng Press - 20 0.6239063 -5.557644 0 -4.6254403 0.97451173 - 120 0.76618392 -5.7755399 0 -4.6307534 0.043194007 -Loop time of 0.0224361 on 1 procs for 100 steps with 256 atoms - -Pair time (%) = 0.01788 (79.6927) -Neigh time (%) = 0.00273871 (12.2067) -Comm time (%) = 0.00126839 (5.65332) -Outpt time (%) = 1.00136e-05 (0.0446315) -Other time (%) = 0.000539064 (2.40266) - -Nlocal: 256 ave 256 max 256 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 1403 ave 1403 max 1403 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 9634 ave 9634 max 9634 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 9634 -Ave neighs/atom = 37.6328 -Neighbor list builds = 5 -Dangerous builds = 0 -run 1 -Memory usage per processor = 1.82446 Mbytes -Step Temp E_pair E_mol TotEng Press - 120 0.76618392 -5.7490597 0 -4.6042731 0.15552489 - 121 0.7701256 -5.7552684 0 -4.6045924 0.12926088 -Loop time of 0.000268936 on 1 procs for 1 steps with 256 atoms - -Pair time (%) = 0.000243902 (90.6915) -Neigh time (%) = 0 (0) -Comm time (%) = 1.09673e-05 (4.07801) -Outpt time (%) = 7.15256e-06 (2.65957) -Other time (%) = 6.91414e-06 (2.57092) - -Nlocal: 256 ave 256 max 256 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 1403 ave 1403 max 1403 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 9635 ave 9635 max 9635 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 9635 -Ave neighs/atom = 37.6367 -Neighbor list builds = 0 -Dangerous builds = 0