diff --git a/examples/body/log.body.31Jan13.linux.1 b/examples/body/log.body.1Feb13.linux.1 similarity index 84% rename from examples/body/log.body.31Jan13.linux.1 rename to examples/body/log.body.1Feb13.linux.1 index 1aeede7779..39c16af7ac 100644 --- a/examples/body/log.body.31Jan13.linux.1 +++ b/examples/body/log.body.1Feb13.linux.1 @@ -1,4 +1,4 @@ -LAMMPS (27 Jan 2013) +LAMMPS (1 Feb 2013) # 2d polygon nparticle bodies units lj @@ -21,12 +21,12 @@ neighbor 0.3 bin fix 1 all nve/body fix 2 all enforce2d -compute 1 all body/local type 1 2 3 -dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] +#compute 1 all body/local type 1 2 3 +#dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] thermo 500 run 10000 -Memory usage per processor = 3.45473 Mbytes +Memory usage per processor = 3.13483 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 500 1.5537157 -1.5243356 0 0.013843001 0.2654775 @@ -49,13 +49,13 @@ Step Temp E_pair E_mol TotEng Press 9000 1.6338929 -1.6889133 0 -0.071359354 0.3793827 9500 1.5180082 -1.7729127 0 -0.27008457 0.27223707 10000 1.6133128 -1.7939587 0 -0.19677903 0.18983194 -Loop time of 2.09831 on 1 procs for 10000 steps with 100 atoms +Loop time of 2.04144 on 1 procs for 10000 steps with 100 atoms -Pair time (%) = 1.82682 (87.0617) -Neigh time (%) = 0.0154643 (0.736989) -Comm time (%) = 0.0328307 (1.56463) -Outpt time (%) = 0.0439582 (2.09493) -Other time (%) = 0.179232 (8.54173) +Pair time (%) = 1.81456 (88.8865) +Neigh time (%) = 0.0159652 (0.782058) +Comm time (%) = 0.0322905 (1.58175) +Outpt time (%) = 0.000332117 (0.0162688) +Other time (%) = 0.178286 (8.73338) Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 diff --git a/examples/body/log.body.1Feb13.linux.4 b/examples/body/log.body.1Feb13.linux.4 new file mode 100644 index 0000000000..a34b8ede45 --- /dev/null +++ b/examples/body/log.body.1Feb13.linux.4 @@ -0,0 +1,70 @@ +LAMMPS (1 Feb 2013) +# 2d polygon nparticle bodies + +units lj +dimension 2 +atom_style body nparticle 2 6 + +read_data data.body + orthogonal box = (-15.5322 -15.5322 -0.5) to (15.5322 15.5322 0.5) + 2 by 2 by 1 MPI processor grid + 100 atoms + 100 bodies + +velocity all create 1.44 87287 loop geom + +pair_style body 5.0 +pair_coeff * * 1.0 1.0 + +neighbor 0.3 bin + +fix 1 all nve/body +fix 2 all enforce2d + +#compute 1 all body/local type 1 2 3 +#dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] + +thermo 500 +run 10000 +Memory usage per processor = 3.10704 Mbytes +Step Temp E_pair E_mol TotEng Press + 0 1.44 -0.63799525 0 0.78760475 -0.15028724 + 500 1.5537157 -1.5243356 0 0.013843001 0.2654775 + 1000 1.5681616 -1.8003444 0 -0.2478644 0.07601415 + 1500 1.6994347 -1.7246456 0 -0.042205239 0.36645011 + 2000 1.6586974 -1.6970115 0 -0.054901078 0.10137999 + 2500 1.7878623 -1.8213737 0 -0.051390011 0.35530747 + 3000 1.7043715 -1.6613359 0 0.025991881 0.27048518 + 3500 1.6313416 -1.5250929 0 0.089935264 0.10510436 + 4000 1.5883641 -1.7692022 0 -0.1967218 0.50882304 + 4500 1.5897207 -1.5634198 0 0.010403642 0.24598267 + 5000 1.4849734 -1.5512049 0 -0.081081244 -0.028399888 + 5500 1.6074988 -1.7000582 0 -0.10863448 0.42879191 + 6000 1.6106093 -1.5850749 0 0.0094282394 0.4115976 + 6500 1.8169151 -1.7996899 0 -0.00094400747 0.21677584 + 7000 1.5487579 -1.6028263 0 -0.069555913 0.23742891 + 7500 1.7231927 -1.8001082 0 -0.094147408 -0.016712191 + 8000 1.5832288 -1.7242109 0 -0.15681439 0.33204 + 8500 1.9002455 -1.866332 0 0.014911066 0.28393405 + 9000 1.5916225 -1.6032424 0 -0.027536096 0.48213053 + 9500 1.6326075 -1.7974673 0 -0.18118584 0.078132294 + 10000 1.3851677 -1.49406 0 -0.12274404 0.18606978 +Loop time of 0.70715 on 4 procs for 10000 steps with 100 atoms + +Pair time (%) = 0.471205 (66.6343) +Neigh time (%) = 0.00455165 (0.643661) +Comm time (%) = 0.174367 (24.6578) +Outpt time (%) = 0.000492573 (0.069656) +Other time (%) = 0.0565341 (7.99463) + +Nlocal: 25 ave 25 max 25 min +Histogram: 4 0 0 0 0 0 0 0 0 0 +Nghost: 43.75 ave 48 max 40 min +Histogram: 1 1 0 0 0 0 0 1 0 1 +Neighs: 101.5 ave 113 max 91 min +Histogram: 1 1 0 0 0 0 0 1 0 1 + +Total # of neighbors = 406 +Ave neighs/atom = 4.06 +Neighbor list builds = 805 +Dangerous builds = 97 diff --git a/examples/body/log.body.31Jan13.linux.2 b/examples/body/log.body.31Jan13.linux.2 deleted file mode 100644 index 6751a98249..0000000000 --- a/examples/body/log.body.31Jan13.linux.2 +++ /dev/null @@ -1,70 +0,0 @@ -LAMMPS (27 Jan 2013) -# 2d polygon nparticle bodies - -units lj -dimension 2 -atom_style body nparticle 2 6 - -read_data data.body - orthogonal box = (-15.5322 -15.5322 -0.5) to (15.5322 15.5322 0.5) - 2 by 1 by 1 MPI processor grid - 100 atoms - 100 bodies - -velocity all create 1.44 87287 loop geom - -pair_style body 5.0 -pair_coeff * * 1.0 1.0 - -neighbor 0.3 bin - -fix 1 all nve/body -fix 2 all enforce2d - -compute 1 all body/local type 1 2 3 -dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] - -thermo 500 -run 10000 -Memory usage per processor = 3.4303 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 1.44 -0.63799525 0 0.78760475 -0.15028724 - 500 1.5537157 -1.5243356 0 0.013843001 0.2654775 - 1000 1.5681616 -1.8003444 0 -0.2478644 0.07601415 - 1500 1.6994347 -1.7246456 0 -0.042205232 0.3664501 - 2000 1.6586967 -1.6970079 0 -0.054898132 0.1013876 - 2500 1.7943064 -1.8233324 0 -0.046969013 0.35643174 - 3000 1.7355506 -1.799582 0 -0.081386908 0.18919569 - 3500 1.7000767 -1.7231043 0 -0.040028341 0.30290232 - 4000 1.6930311 -1.7576092 0 -0.08150844 0.30834318 - 4500 1.7386122 -1.7631104 0 -0.041884373 0.29240818 - 5000 1.57071 -1.8286473 0 -0.27364441 0.25926746 - 5500 1.5922931 -1.6515552 0 -0.07518501 0.23135944 - 6000 1.6860919 -1.712596 0 -0.043365016 0.22250261 - 6500 1.4659862 -1.5948003 0 -0.14347396 0.17414312 - 7000 1.6578388 -1.7869357 0 -0.14567529 0.20935119 - 7500 1.8374862 -1.7395846 0 0.079526686 0.3752619 - 8000 1.6424345 -1.6536472 0 -0.027637089 0.32951585 - 8500 1.5748788 -1.6941696 0 -0.13503954 0.10036347 - 9000 1.6742149 -1.6396074 0 0.017865361 0.37994919 - 9500 1.6805117 -1.6372994 0 0.026407243 0.30494031 - 10000 1.7515522 -1.7145205 0 0.019516206 0.086555974 -Loop time of 1.17662 on 2 procs for 10000 steps with 100 atoms - -Pair time (%) = 0.914773 (77.7458) -Neigh time (%) = 0.00833547 (0.708425) -Comm time (%) = 0.117286 (9.96807) -Outpt time (%) = 0.0376686 (3.20142) -Other time (%) = 0.098557 (8.37628) - -Nlocal: 50 ave 52 max 48 min -Histogram: 1 0 0 0 0 0 0 0 0 1 -Nghost: 63 ave 66 max 60 min -Histogram: 1 0 0 0 0 0 0 0 0 1 -Neighs: 214.5 ave 234 max 195 min -Histogram: 1 0 0 0 0 0 0 0 0 1 - -Total # of neighbors = 429 -Ave neighs/atom = 4.29 -Neighbor list builds = 810 -Dangerous builds = 122