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Added logs for examples

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This commit is contained in:
Lenz Fiedler
2024-12-10 10:39:57 +01:00
parent f93dd3273d
commit f59f084c37
2 changed files with 114 additions and 0 deletions
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examples/snap/log.10Dec24.gaussian.grid.g++.1 Normal file
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LAMMPS (19 Nov 2024 - Development - patch_19Nov2024-57-gf93dd3273d)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.316 3.316 3.316
Created orthogonal box = (0 0 0) to (3.316 3.316 3.316)
1 by 1 by 1 MPI processor grid
Created 2 atoms
using lattice units in orthogonal box = (0 0 0) to (3.316 3.316 3.316)
create_atoms CPU = 0.002 seconds
1 atoms in group snapgroup
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 6.67637
ghost atom cutoff = 6.67637
binsize = 3.338185, bins = 1 1 1
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair zero, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.001
Per MPI rank memory allocation (min/avg/max) = 3.492 | 3.492 | 3.492 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 0 0 0 0
Loop time of 6.83e-07 on 1 procs for 0 steps with 2 atoms
146.4% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 6.83e-07 | | |100.00
Nlocal: 2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 339 ave 339 max 339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 64 ave 64 max 64 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 64
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00

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examples/snap/log.10Dec24.gaussian.grid.g++.4 Normal file
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LAMMPS (19 Nov 2024 - Development - patch_19Nov2024-57-gf93dd3273d)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.316 3.316 3.316
Created orthogonal box = (0 0 0) to (3.316 3.316 3.316)
1 by 1 by 1 MPI processor grid
Created 2 atoms
using lattice units in orthogonal box = (0 0 0) to (3.316 3.316 3.316)
create_atoms CPU = 0.004 seconds
1 atoms in group snapgroup
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 6.67637
ghost atom cutoff = 6.67637
binsize = 3.338185, bins = 1 1 1
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair zero, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.001
Per MPI rank memory allocation (min/avg/max) = 3.492 | 3.492 | 3.492 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 0 0 0 0
Loop time of 6.18e-07 on 1 procs for 0 steps with 2 atoms
161.8% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 6.18e-07 | | |100.00
Nlocal: 2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 339 ave 339 max 339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 64 ave 64 max 64 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 64
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00