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 = (0.027756202 0.027756202 -0.00050000000) to (0.072243798 0.072243798 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 224782 variable print_freq equal $(round(v_nb_step/v_nb_points)) variable print_freq equal 225 # ===== GEOMETRY ==== change_box all triclinic Changing box ... triclinic box = (0.027756202 0.027756202 -0.00050000000) to (0.072243798 0.072243798 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 4.44875962223795e-05 fix FIX5 all enforce2d fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no fix output_file all print 225 "${eps} $(pxy)" file StrainStress.txt screen no run ${nb_step} run 224782 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 0.044487596 0 3424.0255 0 224782 2005000 240 0.044487596 9.8957311e-05 -481.69738 0.0022243798 224782 2010000 240 0.044487596 0.00019791462 -4399.8604 0.0044487596 224782 2015000 240 0.044487596 0.00029687193 -8331.9386 0.0066731394 224782 2020000 240 0.044487596 0.00039582924 -12271.719 0.0088975192 224782 2025000 240 0.044487596 0.00049478655 -16210.756 0.011121899 224782 2030000 240 0.044487596 0.00059374387 -20149.376 0.013346279 224782 2035000 240 0.044487596 0.00069270118 -24092.748 0.015570659 224782 2040000 240 0.044487596 0.00079165849 -28030.038 0.017795038 224782 2045000 240 0.044487596 0.0008906158 -31979.481 0.020019418 224782 2050000 240 0.044487596 0.00098957311 -35923.076 0.022243798 224782 2055000 240 0.044487596 0.0010885304 -39843.81 0.024468178 224782 2060000 240 0.044487596 0.0011874877 -43764.646 0.026692558 224782 2065000 240 0.044487596 0.001286445 -47675.665 0.028916938 224782 2070000 240 0.044487596 0.0013854024 -51564.702 0.031141317 224782 2075000 240 0.044487596 0.0014843597 -55444.376 0.033365697 224782 2080000 240 0.044487596 0.001583317 -59328.189 0.035590077 224782 2085000 240 0.044487596 0.0016822743 -63210.821 0.037814457 224782 2090000 240 0.044487596 0.0017812316 -67101.967 0.040038837 224782 2095000 240 0.044487596 0.0018801889 -71012.755 0.042263216 224782 2100000 240 0.044487596 0.0019791462 -74951.019 0.044487596 224782 2105000 240 0.044487596 0.0020781035 -78930.037 0.046711976 224782 2110000 240 0.044487596 0.0021770608 -82948.369 0.048936356 224782 2115000 240 0.044487596 0.0022760182 -86998.681 0.051160736 224782 2120000 240 0.044487596 0.0023749755 -91096.612 0.053385115 224782 2125000 240 0.044487596 0.0024739328 -95245.012 0.055609495 224782 2130000 240 0.044487596 0.0025728901 -99443.183 0.057833875 224782 2135000 240 0.044487596 0.0026718474 -103688.63 0.060058255 224782 2140000 240 0.044487596 0.0027708047 -107978.81 0.062282635 224782 2145000 240 0.044487596 0.002869762 -112307.39 0.064507015 224782 2150000 240 0.044487596 0.0029687193 -116677.44 0.066731394 224782 2155000 240 0.044487596 0.0030676766 -121089.54 0.068955774 224782 2160000 240 0.044487596 0.0031666339 -125541.58 0.071180154 224782 2165000 240 0.044487596 0.0032655913 -130030.22 0.073404534 224782 2170000 240 0.044487596 0.0033645486 -134561.5 0.075628914 224782 2175000 240 0.044487596 0.0034635059 -139136.99 0.077853293 224782 2180000 240 0.044487596 0.0035624632 -143747.18 0.080077673 224782 2185000 240 0.044487596 0.0036614205 -148396.98 0.082302053 224782 2190000 240 0.044487596 0.0037603778 -153089.45 0.084526433 224782 2195000 240 0.044487596 0.0038593351 -157822.96 0.086750813 224782 2200000 240 0.044487596 0.0039582924 -162597.32 0.088975192 224782 2205000 240 0.044487596 0.0040572497 -167418.46 0.091199572 224782 2210000 240 0.044487596 0.0041562071 -172284.59 0.093423952 224782 2215000 240 0.044487596 0.0042551644 -177190.28 0.095648332 224782 2220000 240 0.044487596 0.0043541217 -182132.35 0.097872712 224782 2224782 240 0.044487596 0.0044487645 -186891.07 0.10000011 224782 Loop time of 4.89495 on 1 procs for 224782 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 | 3.6142 | 3.6142 | 3.6142 | 0.0 | 73.84 Neigh | 0.00071168 | 0.00071168 | 0.00071168 | 0.0 | 0.01 Comm | 0.50048 | 0.50048 | 0.50048 | 0.0 | 10.22 Output | 0.005923 | 0.005923 | 0.005923 | 0.0 | 0.12 Modify | 0.56646 | 0.56646 | 0.56646 | 0.0 | 11.57 Other | | 0.2072 | | | 4.23 Nlocal: 240.000 ave 240 max 240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 106.000 ave 106 max 106 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 700.000 ave 700 max 700 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 700 Ave neighs/atom = 2.9166667 Neighbor list builds = 17 Dangerous builds = 0 write_data box_sheared.data System init for write_data ... Total wall time: 0:00:04