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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10639 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-21 23:06:11 +00:00
parent d77ab2f96a
commit b22a8a7b61
91 changed files with 4603 additions and 4673 deletions
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63
examples/USER/atc/fluids/poisson.screen
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@ -1,4 +1,4 @@
LAMMPS (14 Aug 2013)
LAMMPS (24 Aug 2013)
units metal
variable E equal 20.0
variable nx equal 32
@ -28,6 +28,7 @@ Setting atom values ...
###########################################################################
fix ATC real atc species_electrostatic Ar_species.mat
ATC: constructing electrostatic species coupling with parameter file Ar_species.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: WARNING: material units real do not match lammps
ATC: 1 materials defined from Ar_species.mat
@ -77,14 +78,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
0 13388.811 0 12185513 13388.811 -11520 -5.4091662e-13
1 13388.811 0 12185513 13388.811 -11520 -5.4091662e-13
Loop time of 0.260963 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00830519 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.0105038 (4.025)
Bond time (%) = 1.07288e-06 (0.000411124)
Pair time (%) = 0.00297707 (35.8459)
Bond time (%) = 2.38419e-07 (0.00287072)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00655341 (2.51124)
Outpt time (%) = 0.0322342 (12.352)
Other time (%) = 0.211671 (81.1114)
Comm time (%) = 0.000398695 (4.80056)
Outpt time (%) = 0.00104666 (12.6024)
Other time (%) = 0.00388253 (46.7482)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -121,14 +122,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
1 13388.811 0 12185513 13388.811 -200361.27 6.719863e-13
2 13388.811 0 12185513 13388.811 -200361.27 6.719863e-13
Loop time of 0.254081 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00797027 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.0104072 (4.09602)
Bond time (%) = 1.07288e-06 (0.00042226)
Pair time (%) = 0.00295955 (37.1323)
Bond time (%) = 2.98023e-07 (0.00373918)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0206404 (8.12356)
Outpt time (%) = 0.0137355 (5.40596)
Other time (%) = 0.209297 (82.374)
Comm time (%) = 0.000350654 (4.39952)
Outpt time (%) = 0.000887036 (11.1293)
Other time (%) = 0.00377274 (47.3351)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -156,14 +157,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
2 13388.811 0 12185513 13388.811 -252475.24 1.1650611e-12
3 13388.811 0 12185513 13388.811 -252475.24 1.1650611e-12
Loop time of 0.0918587 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00816 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.013284 (14.4614)
Bond time (%) = 1.01328e-06 (0.00110308)
Pair time (%) = 0.00294703 (36.1156)
Bond time (%) = 5.36442e-07 (0.00657405)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000460505 (0.501319)
Outpt time (%) = 0.017328 (18.8638)
Other time (%) = 0.0607851 (66.1724)
Comm time (%) = 0.000403166 (4.94076)
Outpt time (%) = 0.00085324 (10.4564)
Other time (%) = 0.00395602 (48.4807)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -193,14 +194,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
3 13388.811 0 12185513 13388.811 -225709.12 9.1181426e-13
4 13388.811 0 12185513 13388.811 -225709.12 9.1181426e-13
Loop time of 0.0331933 on 4 procs for 1 steps with 576 atoms
Loop time of 0.0081799 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.0132439 (39.8992)
Bond time (%) = 7.15256e-07 (0.00215482)
Pair time (%) = 0.00293809 (35.9184)
Bond time (%) = 2.38419e-07 (0.00291469)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000455439 (1.37208)
Outpt time (%) = 0.00104851 (3.15879)
Other time (%) = 0.0184448 (55.5678)
Comm time (%) = 0.000377715 (4.61759)
Outpt time (%) = 0.000873506 (10.6787)
Other time (%) = 0.00399035 (48.7824)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -232,14 +233,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
4 13388.811 0 12185513 13388.811 4.3291948e-09 -1.4571568e-12
5 13388.811 0 12185513 13388.811 4.3364707e-09 -1.4571568e-12
Loop time of 0.158969 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00845003 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.00292653 (1.84094)
Bond time (%) = 2.98023e-07 (0.000187472)
Pair time (%) = 0.00297916 (35.2562)
Bond time (%) = 5.36442e-07 (0.0063484)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000340283 (0.214056)
Outpt time (%) = 0.012237 (7.69773)
Other time (%) = 0.143465 (90.2471)
Comm time (%) = 0.000409603 (4.84736)
Outpt time (%) = 0.000993252 (11.7544)
Other time (%) = 0.00406748 (48.1357)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0