LAMMPS (27 Nov 2018) using 1 OpenMP thread(s) per MPI task # 2d SRD only test units lj atom_style atomic atom_modify first empty dimension 2 # create box with big lattice lattice sq 0.4 Lattice spacing in x,y,z = 1.58114 1.58114 1.58114 region box block 0 10 0 10 -0.5 0.5 create_box 1 box Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569) 1 by 1 by 1 MPI processor grid # add SRD particles as hi density lattice lattice sq 0.4 Lattice spacing in x,y,z = 1.58114 1.58114 1.58114 region plane block 0 10 0 10 -0.001 0.001 lattice sq 85.0 Lattice spacing in x,y,z = 0.108465 0.108465 0.108465 create_atoms 1 region plane Created 21316 atoms Time spent = 0.0160828 secs group empty type 2 0 atoms in group empty mass 1 0.01 velocity all create 1.0 593849 loop geom # settings - need dummy empty group to enable no communication neighbor 0.3 bin neigh_modify delay 1 every 1 check no comm_modify group empty # timestep is big and SRD frequency is 1 timestep 0.02 fix 1 all srd 1 NULL 1.0 0.25 49894 collision slip fix 2 all enforce2d # diagnostics thermo_style custom step temp f_1[7] etotal press f_1[3] f_1[4] f_1[6] thermo 100 #dump 1 all atom 250 dump.srd.pure #dump 2 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2 #dump_modify 2 pad 4 #dump 3 all movie 250 movie.mpg type type zoom 1.6 adiam 0.2 #dump_modify 3 pad 4 run 5000 SRD info: SRD/big particles = 21316 0 big particle diameter max/min = 0 1e+20 SRD temperature & lamda = 1 0.2 SRD max distance & max velocity = 0.8 40 SRD grid counts: 63 63 1 SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114 SRD per actual grid cell = 5.37062 SRD viscosity = 0.439647 big/SRD mass density ratio = 0 # of rescaled SRD velocities = 0 ave/max all velocity = 13.2735 24.2873 Per MPI rank memory allocation (min/avg/max) = 5.038 | 5.038 | 5.038 Mbytes Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6] 0 1 0 0.99995309 85.26 0 0 0 100 0.97820615 3969 0.97816026 83.401857 0 0 0 200 0.9609326 3969 0.96088752 81.929113 0 0 0 300 0.94460302 3969 0.9445587 80.536853 0 0 0 400 0.93098293 3969 0.93093925 79.375605 0 0 0 500 0.91803208 3969 0.91798901 78.271415 0 0 0 600 0.90779378 3969 0.90775119 77.398497 0 0 0 700 0.89695247 3969 0.89691039 76.474168 0 0 0 800 0.88637078 3969 0.88632919 75.571972 0 0 0 900 0.87833669 3969 0.87829548 74.886986 0 0 0 1000 0.87030089 3969 0.87026006 74.201854 0 0 0 1100 0.86318709 3969 0.86314659 73.595331 0 0 0 1200 0.85736665 3969 0.85732643 73.099081 0 0 0 1300 0.85147901 3969 0.85143906 72.5971 0 0 0 1400 0.84496088 3969 0.84492124 72.041365 0 0 0 1500 0.83857476 3969 0.83853542 71.496884 0 0 0 1600 0.8336916 3969 0.83365249 71.080546 0 0 0 1700 0.82954371 3969 0.8295048 70.726897 0 0 0 1800 0.82570979 3969 0.82567105 70.400016 0 0 0 1900 0.82189413 3969 0.82185557 70.074693 0 0 0 2000 0.81818525 3969 0.81814687 69.758475 0 0 0 2100 0.81436257 3969 0.81432436 69.432552 0 0 0 2200 0.80997949 3969 0.80994149 69.058851 0 0 0 2300 0.80685831 3969 0.80682045 68.792739 0 0 0 2400 0.80374622 3969 0.80370851 68.527402 0 0 0 2500 0.80103773 3969 0.80100015 68.296477 0 0 0 2600 0.79858358 3969 0.79854611 68.087236 0 0 0 2700 0.79617295 3969 0.7961356 67.881706 0 0 0 2800 0.79312496 3969 0.79308775 67.621834 0 0 0 2900 0.79126456 3969 0.79122744 67.463216 0 0 0 3000 0.78897033 3969 0.78893331 67.26761 0 0 0 3100 0.78632296 3969 0.78628607 67.041895 0 0 0 3200 0.78442284 3969 0.78438604 66.879892 0 0 0 3300 0.78168316 3969 0.78164649 66.646306 0 0 0 3400 0.7788658 3969 0.77882926 66.406098 0 0 0 3500 0.77703408 3969 0.77699762 66.249925 0 0 0 3600 0.77441139 3969 0.77437506 66.026315 0 0 0 3700 0.7723528 3969 0.77231656 65.850799 0 0 0 3800 0.77019626 3969 0.77016013 65.666933 0 0 0 3900 0.76835687 3969 0.76832082 65.510107 0 0 0 4000 0.76701071 3969 0.76697473 65.395333 0 0 0 4100 0.76552115 3969 0.76548523 65.268333 0 0 0 4200 0.76360426 3969 0.76356843 65.104899 0 0 0 4300 0.76173186 3969 0.76169613 64.945259 0 0 0 4400 0.75933463 3969 0.759299 64.74087 0 0 0 4500 0.75806391 3969 0.75802835 64.632529 0 0 0 4600 0.75692832 3969 0.75689281 64.535709 0 0 0 4700 0.75569109 3969 0.75565564 64.430222 0 0 0 4800 0.75446697 3969 0.75443157 64.325854 0 0 0 4900 0.75276753 3969 0.75273221 64.180959 0 0 0 5000 0.75113693 3969 0.75110169 64.041935 0 0 0 Loop time of 7.57583 on 1 procs for 5000 steps with 21316 atoms Performance: 1140469.459 tau/day, 659.994 timesteps/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0.00093412 | 0.00093412 | 0.00093412 | 0.0 | 0.01 Comm | 0.49229 | 0.49229 | 0.49229 | 0.0 | 6.50 Output | 0.004915 | 0.004915 | 0.004915 | 0.0 | 0.06 Modify | 5.9494 | 5.9494 | 5.9494 | 0.0 | 78.53 Other | | 1.128 | | | 14.89 Nlocal: 21316 ave 21316 max 21316 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 0 Ave neighs/atom = 0 Neighbor list builds = 5000 Dangerous builds not checked Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:07