diff --git a/examples/granular/in.sync_verlet b/examples/granular/in.sync_verlet index 39147102e5..6626c8694d 100644 --- a/examples/granular/in.sync_verlet +++ b/examples/granular/in.sync_verlet @@ -12,13 +12,14 @@ group ps type 1 group fine type 2 pair_style granular -pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution #synchronized_verlet +pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution synchronized_verlet # pair_coeff * * hertz/material 5e8 0.5 0.3 tangential mindlin NULL 0.0 0.5 damping coeff_restitution #synchronized_verlet timestep 1e-6 fix frz ps freeze fix g fine gravity 9.81 vector 0 0 -1 fix 1 fine nve/sphere +fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane $(zlo) $(zhi) # dump 1 all custom 3000 op.dump id x y z vx vy vz type diameter diff --git a/examples/granular/log.18Feb25.sync_verlet.g++.1 b/examples/granular/log.18Feb25.sync_verlet.g++.1 index ac93770b51..4fa1b8f5b3 100644 --- a/examples/granular/log.18Feb25.sync_verlet.g++.1 +++ b/examples/granular/log.18Feb25.sync_verlet.g++.1 @@ -1,4 +1,4 @@ -LAMMPS (19 Nov 2024 - Development - ) +LAMMPS (19 Nov 2024 - Development - patch_5May2020-20901-g8641486249-modified) # Example problem demonstrating the use of synchronized_verlet # Refer https://doi.org/10.1016/j.cpc.2025.109524 for further details @@ -15,7 +15,7 @@ Reading data file ... 3 atoms reading velocities ... 3 velocities - read_data CPU = 0.000 seconds + read_data CPU = 0.003 seconds group ps type 1 2 atoms in group ps @@ -23,15 +23,18 @@ group fine type 2 1 atoms in group fine pair_style granular -pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution #synchronized_verlet +pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution synchronized_verlet # pair_coeff * * hertz/material 5e8 0.5 0.3 tangential mindlin NULL 0.0 0.5 damping coeff_restitution #synchronized_verlet timestep 1e-6 fix frz ps freeze fix g fine gravity 9.81 vector 0 0 -1 fix 1 fine nve/sphere +fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane $(zlo) $(zhi) +fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane -0.020000000000000000416 $(zhi) +fix 2 all wall/gran granular hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution zplane -0.020000000000000000416 0.020000000000000000416 -# dump 1 all custom 3000 op.dump id x y z vx vy vz type diameter +dump 1 all custom 3000 op.dump id x y z vx vy vz type diameter comm_modify vel yes @@ -52,132 +55,132 @@ Neighbor list info ... pair build: half/size/bin/atomonly/newtoff stencil: full/bin/3d bin: standard -Per MPI rank memory allocation (min/avg/max) = 9.962 | 9.962 | 9.962 Mbytes +Per MPI rank memory allocation (min/avg/max) = 10.34 | 10.34 | 10.34 Mbytes Step KinEng 0 0 - 3000 7.7090707e-16 - 6000 3.1112308e-15 - 9000 7.1190199e-15 - 12000 1.2962629e-14 - 15000 2.0887639e-14 - 18000 3.1226914e-14 - 21000 4.4414232e-14 - 24000 6.1002083e-14 - 27000 8.1684384e-14 - 30000 1.0732511e-13 - 33000 1.3899407e-13 - 36000 1.7801129e-13 - 39000 2.2600198e-13 - 42000 2.8496431e-13 - 45000 3.5735283e-13 - 48000 4.4618097e-13 - 51000 5.5514685e-13 - 54000 6.8878751e-13 - 57000 8.5266773e-13 - 60000 1.0536111e-12 - 63000 1.2999827e-12 - 66000 1.6020342e-12 - 69000 1.9723255e-12 - 72000 2.4262387e-12 - 75000 2.9826051e-12 - 78000 3.6644675e-12 - 81000 4.5000076e-12 - 84000 5.5236701e-12 - 87000 6.7775234e-12 - 90000 8.3129012e-12 - 93000 1.0192374e-11 - 96000 1.2492108e-11 - 99000 1.5304665e-11 - 102000 1.8742302e-11 - 105000 2.2940821e-11 - 108000 2.8063988e-11 - 111000 3.4308518e-11 - 114000 4.1909557e-11 - 117000 5.1146464e-11 - 120000 6.2348576e-11 - 123000 7.5900357e-11 - 126000 9.2245024e-11 - 129000 1.1188527e-10 - 132000 1.3537906e-10 - 135000 1.6332784e-10 - 138000 1.9635358e-10 - 141000 2.3506042e-10 - 144000 2.7997636e-10 - 147000 3.3147111e-10 - 150000 3.8964803e-10 - 153000 4.5421327e-10 - 156000 5.2433218e-10 - 159000 5.9849452e-10 - 162000 6.7442135e-10 - 165000 7.4905649e-10 - 168000 8.1868568e-10 - 171000 8.7921156e-10 - 174000 9.2657849e-10 - 177000 9.572932e-10 - 180000 9.6894112e-10 - 183000 9.6057611e-10 - 186000 9.3288006e-10 - 189000 8.8804741e-10 - 192000 8.2942739e-10 - 195000 7.6102002e-10 - 198000 6.869483e-10 - 201000 6.1101259e-10 - 204000 5.3638937e-10 - 207000 4.6548772e-10 - 210000 3.9993964e-10 - 213000 3.4068233e-10 - 216000 2.8808878e-10 - 219000 2.4211155e-10 - 222000 2.0241684e-10 - 225000 1.6849649e-10 - 228000 1.3975448e-10 - 231000 1.1556883e-10 - 234000 9.5332935e-11 - 237000 7.8480745e-11 - 240000 6.4500131e-11 - 243000 5.2938118e-11 - 246000 4.340082e-11 - 249000 3.5550184e-11 - 252000 2.9099024e-11 - 255000 2.3805311e-11 - 258000 1.9466371e-11 - 261000 1.5913344e-11 - 264000 1.3006115e-11 - 267000 1.0628799e-11 - 270000 8.6858064e-12 - 273000 7.0984554e-12 - 276000 5.8020943e-12 - 279000 4.7436746e-12 - 282000 3.8797193e-12 - 285000 3.1746291e-12 - 288000 2.5992781e-12 - 291000 2.1298521e-12 - 294000 1.7468903e-12 - 297000 1.4344968e-12 - 300000 1.1796924e-12 -Loop time of 0.147642 on 1 procs for 300000 steps with 3 atoms + 3000 7.7090573e-16 + 6000 3.11122e-15 + 9000 7.1189829e-15 + 12000 1.2962539e-14 + 15000 2.0887458e-14 + 18000 3.1226589e-14 + 21000 4.4413694e-14 + 24000 6.1001238e-14 + 27000 8.1683111e-14 + 30000 1.0732325e-13 + 33000 1.3899142e-13 + 36000 1.7800759e-13 + 39000 2.2599689e-13 + 42000 2.849574e-13 + 45000 3.5734355e-13 + 48000 4.4616861e-13 + 51000 5.5513052e-13 + 54000 6.8876606e-13 + 57000 8.5263971e-13 + 60000 1.0535747e-12 + 63000 1.2999356e-12 + 66000 1.6019734e-12 + 69000 1.9722472e-12 + 72000 2.4261384e-12 + 75000 2.9824767e-12 + 78000 3.6643038e-12 + 81000 4.4997992e-12 + 84000 5.5234053e-12 + 87000 6.7771879e-12 + 90000 8.3124767e-12 + 93000 1.0191838e-11 + 96000 1.2491433e-11 + 99000 1.5303816e-11 + 102000 1.8741238e-11 + 105000 2.2939491e-11 + 108000 2.8062329e-11 + 111000 3.4306457e-11 + 114000 4.1907005e-11 + 117000 5.114332e-11 + 120000 6.2344723e-11 + 123000 7.5895667e-11 + 126000 9.2239362e-11 + 129000 1.118785e-10 + 132000 1.3537107e-10 + 135000 1.6331855e-10 + 138000 1.96343e-10 + 141000 2.3504868e-10 + 144000 2.799638e-10 + 147000 4.4767299e-10 + 150000 8.5696526e-10 + 153000 1.4079769e-09 + 156000 2.1007079e-09 + 159000 2.9351582e-09 + 162000 3.9113279e-09 + 165000 5.029217e-09 + 168000 6.2888254e-09 + 171000 7.6901531e-09 + 174000 9.2332002e-09 + 177000 1.0917967e-08 + 180000 1.2744453e-08 + 183000 1.4712658e-08 + 186000 1.6822582e-08 + 189000 1.9074226e-08 + 192000 2.1467589e-08 + 195000 2.4002672e-08 + 198000 2.6679474e-08 + 201000 2.9497995e-08 + 204000 3.2458236e-08 + 207000 6.543991e-09 + 210000 5.3049419e-09 + 213000 4.2076122e-09 + 216000 3.2520018e-09 + 219000 2.4381108e-09 + 222000 1.7659392e-09 + 225000 1.2354868e-09 + 228000 8.4675389e-10 + 231000 5.997403e-10 + 234000 4.9444606e-10 + 237000 5.3087117e-10 + 240000 7.0901564e-10 + 243000 1.0288795e-09 + 246000 1.4904626e-09 + 249000 2.0937652e-09 + 252000 2.8387871e-09 + 255000 3.7255283e-09 + 258000 4.7539889e-09 + 261000 5.9241689e-09 + 264000 7.2360682e-09 + 267000 1.6704365e-09 + 270000 1.161387e-09 + 273000 7.9405678e-10 + 276000 5.6844595e-10 + 279000 4.8455448e-10 + 282000 5.4238236e-10 + 285000 7.419296e-10 + 288000 1.0831962e-09 + 291000 1.5661821e-09 + 294000 8.41555e-10 + 297000 5.7599278e-10 + 300000 4.5214992e-10 +Loop time of 0.193539 on 1 procs for 300000 steps with 3 atoms -100.0% CPU use with 1 MPI tasks x no OpenMP threads +98.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.063766 | 0.063766 | 0.063766 | 0.0 | 43.19 -Neigh | 3.1991e-05 | 3.1991e-05 | 3.1991e-05 | 0.0 | 0.02 -Comm | 0.021321 | 0.021321 | 0.021321 | 0.0 | 14.44 -Output | 0.00039887 | 0.00039887 | 0.00039887 | 0.0 | 0.27 -Modify | 0.032762 | 0.032762 | 0.032762 | 0.0 | 22.19 -Other | | 0.02936 | | | 19.89 +Pair | 0.064036 | 0.064036 | 0.064036 | 0.0 | 33.09 +Neigh | 0.00015725 | 0.00015725 | 0.00015725 | 0.0 | 0.08 +Comm | 0.027944 | 0.027944 | 0.027944 | 0.0 | 14.44 +Output | 0.002992 | 0.002992 | 0.002992 | 0.0 | 1.55 +Modify | 0.059704 | 0.059704 | 0.059704 | 0.0 | 30.85 +Other | | 0.03871 | | | 20.00 Nlocal: 3 ave 3 max 3 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 0 ave 0 max 0 min +Nghost: 1 ave 1 max 1 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 3 ave 3 max 3 min +Neighs: 1 ave 1 max 1 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 3 -Ave neighs/atom = 1 -Neighbor list builds = 19 +Total # of neighbors = 1 +Ave neighs/atom = 0.33333333 +Neighbor list builds = 70 Dangerous builds = 0 Total wall time: 0:00:00