ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

ATC version 2.0, date: Aug21

Browse Source 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10639 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-21 23:06:11 +00:00
parent d77ab2f96a
commit b22a8a7b61
91 changed files with 4603 additions and 4673 deletions
Download Patch File Download Diff File Expand all files Collapse all files

29
examples/USER/atc/mesh/gaussianIC2d_hex.screen
View File

@ -1,4 +1,4 @@
LAMMPS (14 Aug 2013)
LAMMPS (24 Aug 2013)
units real
atom_style atomic
@ -36,6 +36,7 @@ group ghost subtract all internal
fix AtC internal atc two_temperature Ar_ttm.mat
ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: 2 materials defined from Ar_ttm.mat
ATC: creating two_temperature extrinsic model
@ -72,7 +73,7 @@ timestep 1.0
thermo 10
run 400
Setting up run ...
Memory usage per processor = 91.5244 Mbytes
Memory usage per processor = 50.5401 Mbytes
Step Temp PotEng AtC[2] AtC[4]
0 18.559464 -2927.2438 20 22.619065
10 9.2908989 -2926.8636 20 22.619065
@ -115,13 +116,13 @@ Step Temp PotEng AtC[2] AtC[4]
380 9.2908989 -2851.9001 20 22.619065
390 9.2908989 -2852.2299 20 22.619065
400 9.2908989 -2852.6005 20 22.619065
Loop time of 26.8725 on 4 procs for 400 steps with 1792 atoms
Loop time of 18.4213 on 4 procs for 400 steps with 1792 atoms
Pair time (%) = 1.1555 (4.29993)
Pair time (%) = 1.11548 (6.05539)
Neigh time (%) = 0 (0)
Comm time (%) = 3.3023 (12.2888)
Outpt time (%) = 0.070357 (0.261817)
Other time (%) = 22.3444 (83.1495)
Comm time (%) = 0.398548 (2.16351)
Outpt time (%) = 0.043588 (0.236617)
Other time (%) = 16.8637 (91.5445)
Nlocal: 448 ave 448 max 448 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -160,7 +161,7 @@ dump D1 all atom 10 gaussianIC2d_hex.dmp
# relax the system
run 1000
Setting up run ...
Memory usage per processor = 96.3294 Mbytes
Memory usage per processor = 55.345 Mbytes
Step Temp PotEng AtC[2] AtC[4]
400 9.2908989 -2852.6005 20 22.619065
410 9.3739709 -2853.0186 20.040932 22.611409
@ -263,13 +264,13 @@ Step Temp PotEng AtC[2] AtC[4]
1380 12.444674 -2883.9691 22.539592 22.343613
1390 12.360208 -2883.6693 22.496432 22.342016
1400 12.266237 -2883.307 22.447301 22.340354
Loop time of 294.852 on 4 procs for 1000 steps with 1792 atoms
Loop time of 113.07 on 4 procs for 1000 steps with 1792 atoms
Pair time (%) = 3.79985 (1.28873)
Neigh time (%) = 0.0335855 (0.0113906)
Comm time (%) = 18.051 (6.12205)
Outpt time (%) = 3.2335 (1.09665)
Other time (%) = 269.734 (91.4812)
Pair time (%) = 2.80277 (2.4788)
Neigh time (%) = 0.0123174 (0.0108937)
Comm time (%) = 0.853601 (0.754934)
Outpt time (%) = 1.49777 (1.32464)
Other time (%) = 107.903 (95.4307)
Nlocal: 448 ave 448 max 448 min
Histogram: 4 0 0 0 0 0 0 0 0 0