Dear lammps users,
I was running a script in 88 processors spread across 8 cpus. The script successfully completed, but the loop time was shown to be negative. Other results seems to be fine. And the time taken was also not more than usual for the given number atoms. I’m attaching the output below. I found this a little strange. Is it the problem with my computer or the network ? I don’t think its a lammps issue because this issue never arose previously. Can somebody shed some light into it.
Lattice spacing in x,y,z = 4.05 4.05 4.05
Created orthogonal box = (-40.5 -40.5 -40.5) to (40.5 40.5 40.5)
2 by 4 by 11 processor grid
Lattice spacing in x,y,z = 4.05 4.05 4.05
Created 32000 atoms
Setting up run …
Memory usage per processor = 3.44165 Mbytes
Step Lx Ly Lz Press stress Pxx Pyy Pzz PotEng Temp
0 81 81 81 11.040053 0.0010964313 10.964313 11.046278 11.109567 -107520 1
1000 81.000341 81.000341 81.000341 4.47933 0.00043907453 4.3907453 4.5733751 4.4738696 -107517.86 0.52712358
2000 81.000455 81.000455 81.000455 1.9784437 0.0001884483 1.884483 2.0174543 2.0333938 -107517.72 0.54623937 . . .
. . .
20000 81.000831 81.000831 81.000831 -0.0057084044 1.5658657e-06 0.015658657 0.08356645 -0.11635032 -107516.03 0.92810444
Loop time of -25.9457 on 88 procs for 20000 steps with 32000 atoms
Pair time () = -2.31057e+06 (8.90539e+06)
Neigh time () = 0 (-0)
Comm time () = 294824 (-1.13631e+06)
Outpt time () = 7085.3 (-27308.1)
Other time (%) = 2.00864e+06 (-7.74168e+06)
Nlocal: 363.636 ave 400 max 300 min
Histogram: 32 0 0 0 0 0 0 0 0 56
Nghost: 2917.27 ave 3006 max 2730 min
Histogram: 8 0 0 0 0 0 56 0 0 24
Neighs: 25454.5 ave 28274 max 19802 min
Histogram: 8 8 16 0 0 0 0 0 8 48
FullNghs: 0 ave 0 max 0 min
Histogram: 88 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2240000
Ave neighs/atom = 70
Neighbor list builds = 0
Dangerous builds = 0
Regards