LAMMPS (29 Sep 2021 - Update 3) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task read_restart confined.restart Reading restart file ... restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021 restoring atom style sphere from restart orthogonal box = (0.027597194 0.027597194 -0.00050000000) to (0.072402806 0.072402806 0.00050000000) 1 by 1 by 1 MPI processor grid restoring pair style gran/hertz/history from restart 240 atoms read_restart CPU = 0.001 seconds variable nb_points equal 1000 variable eps_max equal 0.1 variable shearrate equal 1e-1 variable dt equal 0.01 # Don't touch variable eps equal xy/lx variable rate equal v_shearrate*lx*v_dt variable nb_step equal $(round(v_eps_max/(v_rate*v_dt))) variable nb_step equal 223186 variable print_freq equal $(round(v_nb_step/v_nb_points)) variable print_freq equal 223 # ===== GEOMETRY ==== change_box all triclinic Changing box ... triclinic box = (0.027597194 0.027597194 -0.00050000000) to (0.072402806 0.072402806 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000) # ==== DUMP ==== thermo_style custom step atoms lx xy pxy v_eps v_nb_step thermo_modify norm no flush yes thermo 5000 # ==== FIXES ==== timestep ${dt} timestep 0.01 fix 2 all deform 1 xy erate ${rate} fix 2 all deform 1 xy erate 4.48056119110141e-05 fix FIX5 all enforce2d fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no fix output_file all print 223 "${eps} $(pxy)" file StrainStress.txt screen no run ${nb_step} run 223186 Resetting global fix info from restart file: fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0 Resetting peratom fix info from restart file: fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0 All restart file global fix info was re-assigned All restart file peratom fix info was re-assigned Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 0.0045 ghost atom cutoff = 0.0045 binsize = 0.00225, bins = 20 20 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gran/hertz/history, perpetual attributes: half, newton on, size, history pair build: half/size/bin/newton/tri stencil: half/bin/2d/tri bin: standard Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes Step Atoms Lx Xy Pxy v_eps v_nb_step 2000000 240 0.044805612 0 -1044.5205 0 223186 2005000 240 0.044805612 0.00010037714 -7314.6241 0.0022402806 223186 2010000 240 0.044805612 0.00020075429 -13565.555 0.0044805612 223186 2015000 240 0.044805612 0.00030113143 -19805.42 0.0067208418 223186 2020000 240 0.044805612 0.00040150857 -26039.504 0.0089611224 223186 2025000 240 0.044805612 0.00050188571 -32254.169 0.011201403 223186 2030000 240 0.044805612 0.00060226286 -38434.333 0.013441684 223186 2035000 240 0.044805612 0.00070264 -44575.077 0.015681964 223186 2040000 240 0.044805612 0.00080301714 -50673.092 0.017922245 223186 2045000 240 0.044805612 0.00090339429 -56735.534 0.020162525 223186 2050000 240 0.044805612 0.0010037714 -62765.436 0.022402806 223186 2055000 240 0.044805612 0.0011041486 -68765.232 0.024643087 223186 2060000 240 0.044805612 0.0012045257 -74751.427 0.026883367 223186 2065000 240 0.044805612 0.0013049029 -80716.288 0.029123648 223186 2070000 240 0.044805612 0.00140528 -86654.254 0.031363928 223186 2075000 240 0.044805612 0.0015056571 -92560.983 0.033604209 223186 2080000 240 0.044805612 0.0016060343 -98436.898 0.03584449 223186 2085000 240 0.044805612 0.0017064114 -104271.57 0.03808477 223186 2090000 240 0.044805612 0.0018067886 -110073.92 0.040325051 223186 2095000 240 0.044805612 0.0019071657 -115849.62 0.042565331 223186 2100000 240 0.044805612 0.0020075429 -121582.79 0.044805612 223186 2105000 240 0.044805612 0.00210792 -127288.8 0.047045893 223186 2110000 240 0.044805612 0.0022082971 -132961.24 0.049286173 223186 2115000 240 0.044805612 0.0023086743 -138605.54 0.051526454 223186 2120000 240 0.044805612 0.0024090514 -144224.85 0.053766734 223186 2125000 240 0.044805612 0.0025094286 -149830.23 0.056007015 223186 2130000 240 0.044805612 0.0026098057 -155426.41 0.058247295 223186 2135000 240 0.044805612 0.0027101829 -161023.39 0.060487576 223186 2140000 240 0.044805612 0.00281056 -166627.76 0.062727857 223186 2145000 240 0.044805612 0.0029109371 -172234.24 0.064968137 223186 2150000 240 0.044805612 0.0030113143 -177838.38 0.067208418 223186 2155000 240 0.044805612 0.0031116914 -183451.04 0.069448698 223186 2160000 240 0.044805612 0.0032120686 -189072.66 0.071688979 223186 2165000 240 0.044805612 0.0033124457 -194695.79 0.07392926 223186 2170000 240 0.044805612 0.0034128229 -200327.94 0.07616954 223186 2175000 240 0.044805612 0.0035132 -205968.78 0.078409821 223186 2180000 240 0.044805612 0.0036135771 -211624.05 0.080650101 223186 2185000 240 0.044805612 0.0037139543 -217300.52 0.082890382 223186 2190000 240 0.044805612 0.0038143314 -222994.34 0.085130663 223186 2195000 240 0.044805612 0.0039147086 -228704.72 0.087370943 223186 2200000 240 0.044805612 0.0040150857 -234433.2 0.089611224 223186 2205000 240 0.044805612 0.0041154629 -240180.2 0.091851504 223186 2210000 240 0.044805612 0.00421584 -245946.5 0.094091785 223186 2215000 240 0.044805612 0.0043162171 -251735.15 0.096332066 223186 2220000 240 0.044805612 0.0044165943 -257540.48 0.098572346 223186 2223186 240 0.044805612 0.0044805546 -261246.76 0.099999853 223186 Loop time of 5.86394 on 1 procs for 223186 steps with 240 atoms 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.5231 | 4.5231 | 4.5231 | 0.0 | 77.13 Neigh | 0.00074935 | 0.00074935 | 0.00074935 | 0.0 | 0.01 Comm | 0.51254 | 0.51254 | 0.51254 | 0.0 | 8.74 Output | 0.0077977 | 0.0077977 | 0.0077977 | 0.0 | 0.13 Modify | 0.60426 | 0.60426 | 0.60426 | 0.0 | 10.30 Other | | 0.2155 | | | 3.68 Nlocal: 240.000 ave 240 max 240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 103.000 ave 103 max 103 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 690.000 ave 690 max 690 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 690 Ave neighs/atom = 2.8750000 Neighbor list builds = 17 Dangerous builds = 0 write_data box_sheared.data System init for write_data ... Total wall time: 0:00:05