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 = (0.028185850 0.028185850 -0.00050000000) to (0.071814150 0.071814150 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 229209 variable print_freq equal $(round(v_nb_step/v_nb_points)) variable print_freq equal 229 # ===== GEOMETRY ==== change_box all triclinic Changing box ... triclinic box = (0.028185850 0.028185850 -0.00050000000) to (0.071814150 0.071814150 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 4.36283e-05 fix FIX5 all enforce2d fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no fix output_file all print 229 "${eps} $(pxy)" file StrainStress.txt screen no run ${nb_step} run 229209 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 0.0436283 0 -624.83546 0 229209 2005000 240 0.0436283 9.5171428e-05 -7386.7698 0.002181415 229209 2010000 240 0.0436283 0.00019034286 -14157.566 0.00436283 229209 2015000 240 0.0436283 0.00028551428 -20924.182 0.006544245 229209 2020000 240 0.0436283 0.00038068571 -27671.303 0.00872566 229209 2025000 240 0.0436283 0.00047585714 -34427.28 0.010907075 229209 2030000 240 0.0436283 0.00057102857 -41176.761 0.01308849 229209 2035000 240 0.0436283 0.0006662 -47921.547 0.015269905 229209 2040000 240 0.0436283 0.00076137142 -54665.87 0.01745132 229209 2045000 240 0.0436283 0.00085654285 -61392.838 0.019632735 229209 2050000 240 0.0436283 0.00095171428 -68094.861 0.02181415 229209 2055000 240 0.0436283 0.0010468857 -74758.616 0.023995565 229209 2060000 240 0.0436283 0.0011420571 -81382.83 0.02617698 229209 2065000 240 0.0436283 0.0012372286 -87969.332 0.028358395 229209 2070000 240 0.0436283 0.0013324 -94524.433 0.03053981 229209 2075000 240 0.0436283 0.0014275714 -101054.65 0.032721225 229209 2080000 240 0.0436283 0.0015227428 -107549.49 0.03490264 229209 2085000 240 0.0436283 0.0016179143 -113995.14 0.037084055 229209 2090000 240 0.0436283 0.0017130857 -120389.71 0.03926547 229209 2095000 240 0.0436283 0.0018082571 -126730.85 0.041446885 229209 2100000 240 0.0436283 0.0019034286 -133023.34 0.0436283 229209 2105000 240 0.0436283 0.0019986 -139261.62 0.045809715 229209 2110000 240 0.0436283 0.0020937714 -145438.2 0.04799113 229209 2115000 240 0.0436283 0.0021889428 -151570.01 0.050172545 229209 2120000 240 0.0436283 0.0022841143 -157670.41 0.05235396 229209 2125000 240 0.0436283 0.0023792857 -163740.43 0.054535375 229209 2130000 240 0.0436283 0.0024744571 -169773.27 0.05671679 229209 2135000 240 0.0436283 0.0025696286 -175760.94 0.058898205 229209 2140000 240 0.0436283 0.0026648 -181729.3 0.06107962 229209 2145000 240 0.0436283 0.0027599714 -187690.59 0.063261035 229209 2150000 240 0.0436283 0.0028551428 -193649.9 0.06544245 229209 2155000 240 0.0436283 0.0029503143 -199600.58 0.067623865 229209 2160000 240 0.0436283 0.0030454857 -205535.94 0.06980528 229209 2165000 240 0.0436283 0.0031406571 -211466.09 0.071986695 229209 2170000 240 0.0436283 0.0032358286 -217401.33 0.07416811 229209 2175000 240 0.0436283 0.003331 -223333.32 0.076349525 229209 2180000 240 0.0436283 0.0034261714 -229264.12 0.07853094 229209 2185000 240 0.0436283 0.0035213428 -235202.38 0.080712355 229209 2190000 240 0.0436283 0.0036165143 -241151.57 0.08289377 229209 2195000 240 0.0436283 0.0037116857 -247111.35 0.085075185 229209 2200000 240 0.0436283 0.0038068571 -253079.35 0.0872566 229209 2205000 240 0.0436283 0.0039020285 -259056.77 0.089438015 229209 2210000 240 0.0436283 0.0039972 -265042.71 0.09161943 229209 2215000 240 0.0436283 0.0040923714 -271033.42 0.093800845 229209 2220000 240 0.0436283 0.0041875428 -277034.86 0.09598226 229209 2225000 240 0.0436283 0.0042827143 -283048.75 0.098163675 229209 2229209 240 0.0436283 0.0043628296 -288119.24 0.09999999 229209 Loop time of 6.21328 on 1 procs for 229209 steps with 240 atoms 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.8326 | 4.8326 | 4.8326 | 0.0 | 77.78 Neigh | 0.00080776 | 0.00080776 | 0.00080776 | 0.0 | 0.01 Comm | 0.54175 | 0.54175 | 0.54175 | 0.0 | 8.72 Output | 0.0071316 | 0.0071316 | 0.0071316 | 0.0 | 0.11 Modify | 0.61068 | 0.61068 | 0.61068 | 0.0 | 9.83 Other | | 0.2203 | | | 3.55 Nlocal: 240.000 ave 240 max 240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 111.000 ave 111 max 111 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 707.000 ave 707 max 707 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 707 Ave neighs/atom = 2.9458333 Neighbor list builds = 17 Dangerous builds = 0 write_data box_sheared.data System init for write_data ... Total wall time: 0:00:06