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nanoparticlesims/growth_Melting_Silver_ICO_4091/growthSims/run_56/growth.log

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main_MD> Reading input file
read_input> Process type: growth
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions from../seed.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 55 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 50
main_MD> Size of nv and nvoiz: 56 5600
main_MD> Size of nv and nvoiz: 56 5600
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 56
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.17360185607051037 7.6367816392796842E-002 -0.10302275578301499 initial drift of cluster / NP1 for coalescence
init> 0.32436222945668236 0.32810190917016085 0.28141299377379403 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8596158565290337E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00000 -0.00000 0.00000
force_rgl> df(natom) 0.00000 0.00000 2.88576
preparo> THERMALIZATION PROCESS AT 299.38168639311766
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -137.57732320016254 2.5632352971624148 -140.14055849732495 3.6564285253000721E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for growth
main_MD> Now the computation of EXECUTION TIME starts
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18740 0.30435 0.66987
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 56 0 -137.80577 3.26362 1.85856 -137.99591 312.56267
10.0000 56 0 -139.87443 2.23350 1.80722 -138.74727 402.63599
15.0000 56 0 -140.19038 2.00192 1.72689 -139.92309 336.65621
20.0000 56 0 -139.83298 2.23923 1.72011 -140.02234 321.03142
25.0000 56 0 -140.49106 1.85929 1.69884 -140.33370 298.74733
30.0000 56 0 -139.88946 2.23597 1.70518 -140.24090 309.20481
35.0000 56 0 -139.71902 2.33893 1.73550 -139.79703 337.14759
40.0000 56 0 -140.21220 2.32082 1.73339 -139.82805 328.60301
45.0000 56 0 -140.27278 2.07695 1.68661 -140.51264 287.82385
50.0000 56 0 -140.01474 1.77818 1.70756 -140.20603 307.28256
55.0000 56 0 -140.32485 2.18477 1.70377 -140.26155 304.00254
60.0000 56 0 -139.87745 2.15202 1.70673 -140.21816 308.21876
65.0000 56 0 -140.10617 2.48531 1.72638 -139.93058 327.40971
70.0000 56 0 -140.13280 2.46977 1.70465 -140.24866 304.50452
75.0000 56 0 -140.48809 2.08610 1.71117 -140.15329 314.64077
80.0000 56 0 -139.78903 2.16550 1.71328 -140.12232 316.11480
85.0000 56 0 -140.57404 1.90417 1.71868 -140.04323 319.21860
90.0000 56 0 -140.62236 1.97931 1.67230 -140.72215 276.22128
95.0000 56 0 -140.58439 2.60661 1.69010 -140.46163 292.93443
100.0000 56 0 -140.60166 1.90935 1.67890 -140.62560 279.71089
105.0000 56 0 -140.44672 2.19800 1.67554 -140.67471 278.93081
110.0000 56 0 -140.42786 2.10082 1.68149 -140.58765 289.70163
115.0000 56 0 -140.49930 1.82150 1.70027 -140.31278 304.87165
120.0000 56 0 -139.35525 2.59373 1.72814 -139.90487 326.73212
125.0000 56 0 -140.56511 2.09752 1.71451 -140.10427 315.18159
130.0000 56 0 -139.85450 2.28991 1.70428 -140.25413 305.49361
135.0000 56 0 -139.88444 2.48332 1.73753 -139.76746 338.12921
140.0000 56 0 -139.63085 2.54385 1.72600 -139.93615 326.68141
145.0000 56 0 -140.02023 2.19072 1.73662 -139.78077 330.33691
150.0000 56 0 -140.13472 2.08978 1.73134 -139.85795 333.36985
155.0000 56 0 -139.80853 2.44969 1.71342 -140.12035 314.14444
160.0000 56 0 -139.82217 2.13248 1.70727 -140.21028 309.19681
165.0000 56 0 -140.37968 2.51674 1.71056 -140.16211 314.57131
170.0000 56 0 -140.49323 2.06651 1.69382 -140.40713 295.16981
175.0000 56 0 -140.34167 2.42729 1.70224 -140.28395 303.52732
180.0000 56 0 -140.57223 2.01362 1.69152 -140.44079 292.03579
185.0000 56 0 -140.34245 2.43192 1.68285 -140.56777 285.79494
190.0000 56 0 -140.31841 2.45764 1.71242 -140.13492 317.95893
195.0000 56 0 -140.36594 1.96525 1.70224 -140.28397 304.95775
200.0000 56 0 -140.19342 2.26299 1.70627 -140.22492 312.03443
205.0000 56 0 -140.23863 2.04982 1.71312 -140.12472 318.24346
210.0000 56 0 -140.37413 2.25700 1.69547 -140.38300 298.96279
215.0000 56 0 -140.02889 2.36573 1.70016 -140.31432 300.50088
220.0000 56 0 -139.84562 2.50471 1.72862 -139.89775 330.22339
225.0000 56 0 -140.17659 2.26837 1.72114 -140.00734 322.68277
230.0000 56 0 -140.13120 2.37416 1.71273 -140.13046 314.33357
235.0000 56 0 -139.66852 2.54735 1.72790 -139.90834 327.01305
240.0000 56 0 -140.19304 2.35475 1.72500 -139.95073 319.51270
245.0000 56 0 -140.71687 1.95098 1.69226 -140.42994 293.22004
250.0000 56 0 -140.60266 1.81847 1.69640 -140.36938 292.39182
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 0 [min], 15.3877796 [s].
main_MD> Deallocating global variables
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