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Now actually added the correct log

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This commit is contained in:
Lenz Fiedler
2024-12-13 09:51:07 +01:00
parent f59f084c37
commit 16e0a7788a
1 changed files with 15 additions and 14 deletions
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29
examples/snap/log.10Dec24.gaussian.grid.g++.4
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@ -3,10 +3,10 @@ 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
1 by 2 by 2 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
create_atoms CPU = 0.003 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
@ -22,16 +22,17 @@ Neighbor list info ...
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:1202)
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
Per MPI rank memory allocation (min/avg/max) = 3.522 | 3.523 | 3.524 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 0 0 0 0
Loop time of 6.4355e-06 on 4 procs for 0 steps with 2 atoms
161.8% CPU use with 1 MPI tasks x 1 OpenMP threads
15.5% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
@ -41,14 +42,14 @@ 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
Other | | 6.435e-06 | | |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
Nlocal: 0.5 ave 1 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 274.5 ave 275 max 274 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 16 ave 40 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 64
Ave neighs/atom = 32