forked from lijiext/lammps
update example
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@ -1,4 +1,5 @@
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LAMMPS (21 Nov 2023 - Development - )
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LAMMPS (17 Apr 2024 - Development - patch_17Apr2024-93-g4e7bddaa0b)
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using 1 OpenMP thread(s) per MPI task
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units si
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atom_style sphere
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@ -29,8 +30,8 @@ timestep 1e-9
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fix 1 all nve/sphere
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compute s all stress/atom NULL pair
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dump 1 all custom 2000000 op.dump id x y z vx vy vz
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dump_modify 1 pad 8
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#dump 1 all custom 2000000 op.dump id x y z vx vy vz
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#dump_modify 1 pad 8
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thermo_style custom step ke
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run_style verlet
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run 10000000
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@ -51,19 +52,19 @@ Per MPI rank memory allocation (min/avg/max) = 10.1 | 10.1 | 10.1 Mbytes
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Step KinEng
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0 8.3775804e-05
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10000000 5.3616513e-05
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Loop time of 5.06865 on 1 procs for 10000000 steps with 2 atoms
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Loop time of 5.99782 on 1 procs for 10000000 steps with 2 atoms
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99.7% CPU use with 1 MPI tasks x no OpenMP threads
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77.9% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.55389 | 0.55389 | 0.55389 | 0.0 | 10.93
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Neigh | 0.00022182 | 0.00022182 | 0.00022182 | 0.0 | 0.00
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Comm | 1.9988 | 1.9988 | 1.9988 | 0.0 | 39.43
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Output | 0.00023837 | 0.00023837 | 0.00023837 | 0.0 | 0.00
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Modify | 1.26 | 1.26 | 1.26 | 0.0 | 24.86
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Other | | 1.255 | | | 24.77
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Pair | 0.60235 | 0.60235 | 0.60235 | 0.0 | 10.04
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Neigh | 0.00021965 | 0.00021965 | 0.00021965 | 0.0 | 0.00
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Comm | 1.7939 | 1.7939 | 1.7939 | 0.0 | 29.91
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Output | 2.5955e-05 | 2.5955e-05 | 2.5955e-05 | 0.0 | 0.00
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Modify | 1.7622 | 1.7622 | 1.7622 | 0.0 | 29.38
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Other | | 1.839 | | | 30.66
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Nlocal: 2 ave 2 max 2 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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@ -76,4 +77,4 @@ Total # of neighbors = 0
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Ave neighs/atom = 0
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Neighbor list builds = 14
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Dangerous builds = 0
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Total wall time: 0:00:05
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Total wall time: 0:00:06
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