Hi,
I run the same code in the same computers with single core and multi (2 and 4) and get different results.
TimeStep
|
1 core in Conputer A
|
1 core in Conputer B
|
4 core in Conputer A
|
2 core in Conputer B
|
- | - | - | - | - |
Run 5000
|
Total # of neighbors = 492216
Ave neighs/atom = 157.711
Ave special neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0
|
Total # of neighbors = 492216
Ave neighs/atom = 157.711
Ave special neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0
|
Total # of neighbors = 492216
Ave neighs/atom = 157.711
Ave special neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0
|
Total # of neighbors = 492216
Ave neighs/atom = 157.711
Ave special neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0
|
Run 100000
|
Total # of neighbors = 513144
Ave neighs/atom = 164.417
Ave special neighs/atom = 0
Neighbor list builds = 143
Dangerous builds = 0
|
Total # of neighbors = 513144
Ave neighs/atom = 164.417
Ave special neighs/atom = 0
Neighbor list builds = 143
Dangerous builds = 0
|
Total # of neighbors = 512894
Ave neighs/atom = 164.336
Ave special neighs/atom = 0
Neighbor list builds = 159
Dangerous builds = 0
|
Total # of neighbors = 513396
Ave neighs/atom = 164.497
Ave special neighs/atom = 0
Neighbor list builds = 161
Dangerous builds = 0
|
Run 5000
|
Total # of neighbors = 513104
Ave neighs/atom = 164.404
Ave special neighs/atom = 0
Neighbor list builds = 5
Dangerous builds = 0
|
Total # of neighbors = 513104
Ave neighs/atom = 164.404
Ave special neighs/atom = 0
Neighbor list builds = 5
Dangerous builds = 0
|
Total # of neighbors = 513778
Ave neighs/atom = 164.62
Ave special neighs/atom = 0
Neighbor list builds = 7
Dangerous builds = 0
|
Total # of neighbors = 513668
Ave neighs/atom = 164.584
Ave special neighs/atom = 0
Neighbor list builds = 10
Dangerous builds = 0
|
Run 100000
|
Total # of neighbors = 491318
Ave neighs/atom = 157.423
Ave special neighs/atom = 0
Neighbor list builds = 129
Dangerous builds = 0
|
Total # of neighbors = 491318
Ave neighs/atom = 157.423
Ave special neighs/atom = 0
Neighbor list builds = 129
Dangerous builds = 0
|
Total # of neighbors = 491224
Ave neighs/atom = 157.393
Ave special neighs/atom = 0
Neighbor list builds = 141
Dangerous builds = 0
|
Total # of neighbors = 491416
Ave neighs/atom = 157.455
Ave special neighs/atom = 0
Neighbor list builds = 135
Dangerous builds = 0
|
As you can see only “run 5000” at the first time are the same.
With “run 100000” and “run 5000” at the second time are different.
Position of atoms are different, too.
LAMMPS 32-bit 20150430 and mpich2-1.4.1p1-win-ia32 are used.
Anyone can suggest about that?