// run_liggghts_init_DEM // /home/jurij/BRC/pcIVbag/DEM LIGGGHTS (Version LIGGGHTS-PUBLIC 3.8.0, compiled 2025-03-07-11:51:46 by jurij, git commit 3d5c00f20519e6bb6eb6756f51f1ad36564e649d) log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt atom_style granular atom_modify map array communicate single vel yes boundary f f f newton off units si region reg block -0.06 0.06 -0.003 0.003 -0.012 0.12 units box create_box 1 reg Created orthogonal box = (-0.06 -0.003 -0.012) to (0.06 0.003 0.12) 2 by 1 by 4 MPI processor grid neighbor 0.001 bin neigh_modify delay 0 # Material properties required for granular pair styles fix m1 all property/global youngsModulus peratomtype 5.e6 fix m2 all property/global poissonsRatio peratomtype 0.45 fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # variable youngmod equal 5e6 # E-Modul [Pa] # variable poiss equal 0.45 # Poisson Ratio [] # variable cor equal 0.2 # Coefficent of Restitution [] # variable ff equal 0.7 # Particle Sliding Friction [] # variable wallfricW equal 0.465 # Particle Wall Friction [] # variable frf equal 0.3 # Particle Rolling Friction [] # variable dens equal 2500 # Particle Density kg/m3 #fix m1 all property/global youngsModulus peratomtype ${youngmod} ${youngmod} #fix m2 all property/global poissonsRatio peratomtype ${poiss} ${poiss} #fix m3 all property/global coefficientRestitution peratomtypepair 2 ${cor} ${cor} ${cor} ${cor} #fix m4 all property/global coefficientFriction peratomtypepair 2 ${ff} ${wallfricW} ${wallfricW} 0 #fix m5 all property/global coefficientRollingFriction peratomtypepair 2 ${ff} ${wallfricW} ${wallfricW} 0 #fix m6 all property/global cohesionEnergyDensity peratomtypepair 2 0 0 0 0 # pair style pair_style gran model hertz tangential history # Hertzian without cohesion pair_coeff * * # timestep, gravity timestep 1e-5 fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 #geometry fix wall all mesh/surface/stress file STL/chamber.stl type 1 Reading STL file 'STL/chamber.stl' (mesh processing step 1/3) successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' successfully read a chunk of 100000 elements in STL file 'STL/chamber.stl' # walls fix walls all wall/gran model hertz tangential history mesh n_meshes 1 meshes wall #cohesion off rolling_friction epsd2 # particle distributions and insertion fix pts1 all particletemplate/sphere 15485863 atom_type 1 density constant 2000 radius constant 0.0005 fix pdd1 all particledistribution/discrete 15485867 1 pts1 1.0 Fix particledistribution/discrete (id pdd1): distribution based on mass%: pts1: d=1.000000e-03 (max. bounding sphere) mass%=100.000000% Fix particledistribution/discrete (id pdd1): distribution based on number%: pts1: d=1.000000e-03 (max. bounding sphere) number%=100.000000% #fix ins all insert/pack seed 32452843 distributiontemplate pdd1 vel constant 0. 0. 1. insert_every once overlapcheck yes all_in yes particles_in_region 1000 region reg #insertion region region reg_ins block -0.05 0.05 -0.0022 0.0022 0.049 0.11 units box fix insh all insert/pack seed 32452843 distributiontemplate pdd1 vel constant 0 0 -0.5 insert_every once overlapcheck yes all_in yes particles_in_region 1000 region reg_ins # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere # screen output compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes WARNING: Changing thermo_temp compute object. This object is deprecated and will be removed in the future. (../compute.cpp:161) # insert the first particles so that dump is not empty #run 1 dump dmp all custom/vtk 1000 post/insert_*.vtk id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius run 10000 upto Setting up run at Mon Mar 24 23:12:48 2025 Import and parallelization of mesh wall containing 186554 triangle(s) successful INFO: Resetting random generator for region reg_ins INFO: Particle insertion insh: inserting every 0 steps Memory usage per processor = 6.86363 Mbytes Step Atoms KinEng 1 Volume 0 0 0 0 9.504e-05 insertion: proc 1 at 0 % insertion: proc 1 at 10 % insertion: proc 1 at 20 % insertion: proc 1 at 30 % insertion: proc 1 at 40 % insertion: proc 1 at 50 % insertion: proc 1 at 60 % insertion: proc 1 at 70 % insertion: proc 1 at 80 % insertion: proc 1 at 90 % insertion: proc 1 at 100 % insertion: proc 1 at 110 % insertion: proc 1 at 120 % insertion: proc 3 at 0 % insertion: proc 3 at 10 % insertion: proc 3 at 20 % insertion: proc 3 at 30 % insertion: proc 3 at 40 % insertion: proc 3 at 50 % insertion: proc 3 at 60 % insertion: proc 5 at 0 % insertion: proc 5 at 10 % insertion: proc 5 at 20 % insertion: proc 5 at 30 % insertion: proc 5 at 40 % insertion: proc 5 at 50 % insertion: proc 5 at 60 % insertion: proc 5 at 70 % insertion: proc 5 at 80 % insertion: proc 5 at 90 % insertion: proc 5 at 100 % insertion: proc 5 at 110 % insertion: proc 5 at 120 % insertion: proc 7 at 0 % insertion: proc 7 at 10 % insertion: proc 7 at 20 % insertion: proc 7 at 30 % insertion: proc 7 at 40 % insertion: proc 7 at 50 % insertion: proc 7 at 60 % insertion: proc 7 at 70 % insertion: proc 7 at 80 % insertion: proc 2 at 0 % insertion: proc 2 at 10 % insertion: proc 2 at 20 % insertion: proc 3 at 70 % insertion: proc 3 at 80 % insertion: proc 3 at 90 % insertion: proc 3 at 100 % insertion: proc 6 at 0 % insertion: proc 6 at 10 % insertion: proc 6 at 20 % insertion: proc 6 at 30 % insertion: proc 2 at 30 % insertion: proc 2 at 40 % insertion: proc 2 at 50 % insertion: proc 2 at 60 % insertion: proc 2 at 70 % insertion: proc 2 at 80 % insertion: proc 2 at 90 % insertion: proc 2 at 100 % insertion: proc 6 at 40 % insertion: proc 6 at 50 % insertion: proc 6 at 60 % insertion: proc 6 at 70 % insertion: proc 6 at 80 % insertion: proc 6 at 90 % insertion: proc 6 at 100 % insertion: proc 7 at 90 % INFO: Particle insertion insh: inserted 1000 particle templates (mass 1.047198e-03) at step 1 - a total of 1000 particle templates (mass 1.047198e-03) inserted so far. 1000 1000 0.00018710041 1.5497962e-08 9.504e-05 2000 1000 0.00024948557 6.0117875e-07 9.504e-05 3000 1000 0.00031978148 1.3236304e-06 9.504e-05 4000 1000 0.00038896522 3.2325631e-06 9.504e-05 5000 1000 0.00043726209 6.4154073e-06 9.504e-05 6000 1000 0.00043142007 1.0172411e-05 9.504e-05 7000 1000 0.00036343755 1.3650368e-05 9.504e-05 8000 1000 0.00025739413 1.4716085e-05 9.504e-05 9000 1000 0.00011722674 1.2992811e-05 9.504e-05 10000 1000 3.8741378e-05 7.7012881e-06 9.504e-05 Loop time of 19.3565 on 8 procs for 10000 steps with 1000 atoms, finish time Mon Mar 24 23:13:09 2025 Pair time (%) = 0.123266 (0.636822) Neigh time (%) = 0.0161847 (0.0836138) Comm time (%) = 0.707867 (3.657) Outpt time (%) = 0.0500007 (0.258315) Other time (%) = 18.4592 (95.3642) Nlocal: 125 ave 427 max 0 min Histogram: 4 1 1 0 0 0 0 0 0 2 Nghost: 26.25 ave 64 max 0 min Histogram: 4 0 0 0 0 0 0 2 1 1 Neighs: 1137.38 ave 4277 max 0 min Histogram: 6 0 0 0 0 0 0 0 0 2 Total # of neighbors = 9099 Ave neighs/atom = 9.099 Neighbor list builds = 192 Dangerous builds = 0 write_restart post/restart/liggghts.restart System init for write_restart ...