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lammps-graphene/docs/midterm_pres/log
Adamo c39caee898 Init and final.
2020-12-23 17:12:07 -05:00

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LAMMPS (9 Sep 2013)
Reading data file ...
orthogonal box = (-30 -25 -1) to (30 25 1)
1 by 1 by 1 MPI processor grid
872 atoms
WARNING: Resetting reneighboring criteria during minimization (../min.cpp:173)
Setting up minimization ...
Memory usage per processor = 13.3168 Mbytes
Step Temp PotEng TotEng KinEng E_pair Press p2
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474 0.0000000000 -6522.9110572548 -6522.9110572548 0.0000000000 -6522.9110572548 -0.4680383278 0.4680383278
475 0.0000000000 -6522.9110584149 -6522.9110584149 0.0000000000 -6522.9110584149 -0.7248968501 0.7248968501
476 0.0000000000 -6522.9110597701 -6522.9110597701 0.0000000000 -6522.9110597701 -0.8695825391 0.8695825391
477 0.0000000000 -6522.9110606539 -6522.9110606539 0.0000000000 -6522.9110606539 -0.5458307374 0.5458307375
478 0.0000000000 -6522.9110610876 -6522.9110610876 0.0000000000 -6522.9110610876 -0.5408642101 0.5408642100
479 0.0000000000 -6522.9110612668 -6522.9110612668 0.0000000000 -6522.9110612668 -0.7131720347 0.7131720346
480 0.0000000000 -6522.9110612928 -6522.9110612928 0.0000000000 -6522.9110612928 -0.7490660512 0.7490660512
481 0.0000000000 -6522.9110613251 -6522.9110613251 0.0000000000 -6522.9110613251 -0.8009708729 0.8009708729
482 0.0000000000 -6522.9110613768 -6522.9110613768 0.0000000000 -6522.9110613768 -0.8877429620 0.8877429620
483 0.0000000000 -6522.9110615770 -6522.9110615770 0.0000000000 -6522.9110615770 -0.8239253167 0.8239253167
484 0.0000000000 -6522.9110620058 -6522.9110620058 0.0000000000 -6522.9110620058 -0.8825300510 0.8825300510
485 0.0000000000 -6522.9110622900 -6522.9110622900 0.0000000000 -6522.9110622900 -1.0476703150 1.0476703150
486 0.0000000000 -6522.9110625795 -6522.9110625795 0.0000000000 -6522.9110625795 -0.9724002974 0.9724002974
487 0.0000000000 -6522.9110628837 -6522.9110628837 0.0000000000 -6522.9110628837 -0.8891903353 0.8891903353
488 0.0000000000 -6522.9110630530 -6522.9110630530 0.0000000000 -6522.9110630530 -0.7328410236 0.7328410236
489 0.0000000000 -6522.9110630681 -6522.9110630681 0.0000000000 -6522.9110630681 -0.6976096457 0.6976096456
490 0.0000000000 -6522.9110632159 -6522.9110632159 0.0000000000 -6522.9110632159 -0.7847835624 0.7847835625
491 0.0000000000 -6522.9110633571 -6522.9110633571 0.0000000000 -6522.9110633571 -0.8731130615 0.8731130615
492 0.0000000000 -6522.9110639550 -6522.9110639550 0.0000000000 -6522.9110639550 -1.2504861221 1.2504861220
493 0.0000000000 -6522.9110640843 -6522.9110640843 0.0000000000 -6522.9110640843 -1.4646292484 1.4646292484
494 0.0000000000 -6522.9110643061 -6522.9110643061 0.0000000000 -6522.9110643061 -1.4310130721 1.4310130723
495 0.0000000000 -6522.9110646458 -6522.9110646458 0.0000000000 -6522.9110646458 -1.1157414755 1.1157414755
496 0.0000000000 -6522.9110647172 -6522.9110647172 0.0000000000 -6522.9110647172 -1.0474727380 1.0474727380
497 0.0000000000 -6522.9110648426 -6522.9110648426 0.0000000000 -6522.9110648426 -0.8064592612 0.8064592612
498 0.0000000000 -6522.9110648426 -6522.9110648426 0.0000000000 -6522.9110648426 -0.8064592612 0.8064592612
Loop time of 572.539 on 1 procs for 498 steps with 872 atoms
Minimization stats:
Stopping criterion = linesearch alpha is zero
Energy initial, next-to-last, final =
-4748.14396886 -6522.91106484 -6522.91106484
Force two-norm initial, final = 8316.22 0.00648072
Force max component initial, final = 5318.31 0.00217732
Final line search alpha, max atom move = 0.000488281 1.06314e-06
Iterations, force evaluations = 498 3107
Pair time (%) = 572.381 (99.9724)
Neigh time (%) = 0.0348561 (0.00608798)
Comm time (%) = 0.0035708 (0.000623677)
Outpt time (%) = 0.0490725 (0.00857103)
Other time (%) = 0.0705132 (0.0123159)
Nlocal: 872 ave 872 max 872 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 146724 ave 146724 max 146724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 146724
Ave neighs/atom = 168.261
Neighbor list builds = 14
Dangerous builds = 0
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