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 = (0.028328870 0.028328870 -0.00050000000) to (0.071671130 0.071671130 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 230722 variable print_freq equal $(round(v_nb_step/v_nb_points)) variable print_freq equal 231 # ===== GEOMETRY ==== change_box all triclinic Changing box ... triclinic box = (0.028328870 0.028328870 -0.00050000000) to (0.071671130 0.071671130 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 4.33422597677178e-05 fix FIX5 all enforce2d fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no fix output_file all print 231 "${eps} $(pxy)" file StrainStress.txt screen no run ${nb_step} run 230722 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 0.04334226 0 4088.2653 0 230722 2005000 240 0.04334226 9.3927574e-05 -1591.5739 0.002167113 230722 2010000 240 0.04334226 0.00018785515 -7271.4735 0.004334226 230722 2015000 240 0.04334226 0.00028178272 -12949.723 0.006501339 230722 2020000 240 0.04334226 0.0003757103 -18633.88 0.008668452 230722 2025000 240 0.04334226 0.00046963787 -24319.245 0.010835565 230722 2030000 240 0.04334226 0.00056356544 -30015.882 0.013002678 230722 2035000 240 0.04334226 0.00065749302 -35723.241 0.015169791 230722 2040000 240 0.04334226 0.00075142059 -41440.846 0.017336904 230722 2045000 240 0.04334226 0.00084534817 -47162.737 0.019504017 230722 2050000 240 0.04334226 0.00093927574 -52873.429 0.02167113 230722 2055000 240 0.04334226 0.0010332033 -58571.483 0.023838243 230722 2060000 240 0.04334226 0.0011271309 -64259.33 0.026005356 230722 2065000 240 0.04334226 0.0012210585 -69934.745 0.028172469 230722 2070000 240 0.04334226 0.001314986 -75593.771 0.030339582 230722 2075000 240 0.04334226 0.0014089136 -81232.391 0.032506695 230722 2080000 240 0.04334226 0.0015028412 -86859.11 0.034673808 230722 2085000 240 0.04334226 0.0015967688 -92464.549 0.036840921 230722 2090000 240 0.04334226 0.0016906963 -98042.044 0.039008034 230722 2095000 240 0.04334226 0.0017846239 -103583.41 0.041175147 230722 2100000 240 0.04334226 0.0018785515 -109104.43 0.04334226 230722 2105000 240 0.04334226 0.0019724791 -114605.51 0.045509373 230722 2110000 240 0.04334226 0.0020664066 -120095.47 0.047676486 230722 2115000 240 0.04334226 0.0021603342 -125574.1 0.049843599 230722 2120000 240 0.04334226 0.0022542618 -131036.24 0.052010712 230722 2125000 240 0.04334226 0.0023481894 -136494.89 0.054177825 230722 2130000 240 0.04334226 0.0024421169 -141965.13 0.056344938 230722 2135000 240 0.04334226 0.0025360445 -147449.55 0.058512051 230722 2140000 240 0.04334226 0.0026299721 -152940.98 0.060679164 230722 2145000 240 0.04334226 0.0027238996 -158434.15 0.062846277 230722 2150000 240 0.04334226 0.0028178272 -163926.66 0.06501339 230722 2155000 240 0.04334226 0.0029117548 -169416.26 0.067180503 230722 2160000 240 0.04334226 0.0030056824 -174906.06 0.069347616 230722 2165000 240 0.04334226 0.0030996099 -180388.78 0.071514729 230722 2170000 240 0.04334226 0.0031935375 -185870.41 0.073681842 230722 2175000 240 0.04334226 0.0032874651 -191361.91 0.075848955 230722 2180000 240 0.04334226 0.0033813927 -196875.59 0.078016068 230722 2185000 240 0.04334226 0.0034753202 -202410.94 0.080183181 230722 2190000 240 0.04334226 0.0035692478 -207963.79 0.082350294 230722 2195000 240 0.04334226 0.0036631754 -213531.25 0.084517407 230722 2200000 240 0.04334226 0.003757103 -219112.3 0.08668452 230722 2205000 240 0.04334226 0.0038510305 -224701.84 0.088851633 230722 2210000 240 0.04334226 0.0039449581 -230298.11 0.091018746 230722 2215000 240 0.04334226 0.0040388857 -235905.52 0.093185859 230722 2220000 240 0.04334226 0.0041328133 -241521.56 0.095352971 230722 2225000 240 0.04334226 0.0042267408 -247153.09 0.097520084 230722 2230000 240 0.04334226 0.0043206684 -252805.08 0.099687197 230722 2230722 240 0.04334226 0.0043342315 -253622.79 0.10000013 230722 Loop time of 5.8418 on 1 procs for 230722 steps with 240 atoms 99.2% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.4716 | 4.4716 | 4.4716 | 0.0 | 76.54 Neigh | 0.000808 | 0.000808 | 0.000808 | 0.0 | 0.01 Comm | 0.54579 | 0.54579 | 0.54579 | 0.0 | 9.34 Output | 0.0066247 | 0.0066247 | 0.0066247 | 0.0 | 0.11 Modify | 0.59811 | 0.59811 | 0.59811 | 0.0 | 10.24 Other | | 0.2189 | | | 3.75 Nlocal: 240.000 ave 240 max 240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 113.000 ave 113 max 113 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: 0:00:05