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lammps/test/eam.gpu1.log
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eam.gpu1.log
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LAMMPS (7 Jan 2012)
using 4 OpenMP thread(s) per MPI task
# Cu ring
newton off
package gpu force 0 0 1 threads_per_atom 1
units metal
boundary p p p
atom_style atomic
read_data ring.data
orthogonal box = (97.4376 97.5604 73.5248) to (857.438 857.56 123.384)
3 by 1 by 1 MPI processor grid
15602 atoms
mass 1 12.0107
pair_style eam/gpu
pair_coeff * * ../potentials/Cu_u3.eam
pair_modify shift yes
group particles type 1
15602 atoms in group particles
velocity particles create 1500 102932
fix 1 particles nve
neighbor 5.0 bin
neigh_modify delay 0 every 20 check no
thermo 10
thermo_style custom step pe etotal temp press
timestep 0.001
run 100
Memory usage per processor = 5.32026 Mbytes
Step PotEng TotEng Temp Press
0 -44795.251 -41770.37 1500 -203.12315
10 -44801.675 -41770.37 1503.1855 -196.3475
20 -44822.255 -41770.382 1513.3847 -182.76446
30 -44835.804 -41770.391 1520.099 -161.36915
40 -44835.717 -41770.377 1520.0628 -135.12403
50 -44842.827 -41770.376 1523.5893 -108.59471
60 -44867.527 -41770.385 1535.8332 -85.641687
70 -44900.615 -41770.399 1552.234 -66.978067
80 -44935.633 -41770.401 1569.5979 -52.737158
90 -44971.459 -41770.408 1587.3602 -42.882376
100 -45003.968 -41770.406 1603.4826 -37.422515
Loop time of 0.559267 on 12 procs (3 MPI x 4 OpenMP) for 100 steps with 15602 atoms
Pair time (%) = 0.367407 (65.6944)
Neigh time (%) = 0.10548 (18.8604)
Comm time (%) = 0.0659462 (11.7915)
Outpt time (%) = 0.00866127 (1.54868)
Other time (%) = 0.011773 (2.10508)
Nlocal: 5200.67 ave 8353 max 3620 min
Histogram: 2 0 0 0 0 0 0 0 0 1
Nghost: 587 ave 921 max 412 min
Histogram: 2 0 0 0 0 0 0 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 0
FullNghs: 789513 ave 1.26788e+06 max 549190 min
Histogram: 2 0 0 0 0 0 0 0 0 1
Total # of neighbors = 2368538
Ave neighs/atom = 151.81
Neighbor list builds = 5
Dangerous builds = 0
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