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nanoparticlesims/growth_Melting_Silver_ICO_3269/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> 1.3214643174617244E-002 -3.6953410753737870E-002 -9.3692011970034625E-004 initial drift of cluster / NP1 for coalescence
init> 0.29761677254658708 0.28863744001379871 0.30704932587591982 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 299.48868421907343
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -137.85827948819812 1.7661718768168191 -139.62445136501495 3.6259237101183574E-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) -0.50311 0.77195 1.11640
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 56 0 -138.71911 3.25608 1.84739 -138.15938 311.29310
10.0000 56 0 -140.05060 2.28791 1.75175 -139.55922 351.42255
15.0000 56 0 -140.31907 2.13108 1.71487 -140.09911 310.60760
20.0000 56 0 -140.73691 1.92226 1.67464 -140.68799 275.61347
25.0000 56 0 -139.93365 2.42840 1.69201 -140.43362 292.71481
30.0000 56 0 -139.44250 2.39685 1.72884 -139.89454 331.33314
35.0000 56 0 -139.91380 2.10101 1.73334 -139.82870 334.62223
40.0000 56 0 -139.97779 2.06272 1.70664 -140.21960 307.76625
45.0000 56 0 -139.90777 2.36745 1.73523 -139.80099 334.07121
50.0000 56 0 -140.24353 1.97232 1.70150 -140.29482 304.21242
55.0000 56 0 -140.70166 1.93709 1.70216 -140.28508 304.76686
60.0000 56 0 -140.09075 1.98709 1.68578 -140.52487 283.93154
65.0000 56 0 -139.99716 2.26432 1.71290 -140.12791 307.50569
70.0000 56 0 -139.88121 2.45872 1.70665 -140.21943 302.78704
75.0000 56 0 -139.66403 2.37095 1.74205 -139.70124 339.09589
80.0000 56 0 -140.26079 2.05188 1.71789 -140.05482 311.04487
85.0000 56 0 -140.32592 2.51142 1.70189 -140.28905 298.95681
90.0000 56 0 -140.28765 2.06041 1.71219 -140.13826 312.98461
95.0000 56 0 -140.13700 2.30001 1.69416 -140.40225 288.07248
100.0000 56 0 -140.83709 1.97982 1.69626 -140.37139 289.99332
105.0000 56 0 -140.29589 2.28937 1.68455 -140.54284 284.61626
110.0000 56 0 -140.04786 2.17194 1.70338 -140.26720 306.72716
115.0000 56 0 -140.61244 1.89782 1.69755 -140.35258 298.98162
120.0000 56 0 -140.76013 2.16207 1.67777 -140.64212 276.46158
125.0000 56 0 -140.15229 2.36437 1.68769 -140.49683 295.35096
130.0000 56 0 -139.71478 2.49130 1.70816 -140.19734 308.31344
135.0000 56 0 -140.21941 1.83618 1.73350 -139.82641 328.80367
140.0000 56 0 -139.57612 2.60538 1.70800 -140.19968 301.45793
145.0000 56 0 -140.19236 2.25258 1.72827 -139.90299 324.97610
150.0000 56 0 -140.72398 1.91672 1.68284 -140.56790 280.09355
155.0000 56 0 -140.48928 2.13837 1.68184 -140.58252 280.83606
160.0000 56 0 -140.11827 1.90953 1.69837 -140.34063 296.41051
165.0000 56 0 -139.76915 2.60524 1.71061 -140.16141 306.34584
170.0000 56 0 -139.25975 2.78641 1.75682 -139.48506 350.49987
175.0000 56 0 -140.38671 1.82292 1.72868 -139.89695 332.34631
180.0000 56 0 -140.84123 1.89679 1.68567 -140.52654 289.64357
185.0000 56 0 -140.20270 2.16893 1.68366 -140.55585 284.00109
190.0000 56 0 -140.18451 2.12362 1.71592 -140.08372 312.75353
195.0000 56 0 -140.08721 2.46510 1.71013 -140.16841 312.46219
200.0000 56 0 -140.25258 2.50266 1.71084 -140.15800 312.52548
205.0000 56 0 -140.45109 1.92269 1.69421 -140.40144 299.40655
210.0000 56 0 -140.34921 2.15983 1.69118 -140.44588 297.77198
215.0000 56 0 -139.92271 2.05863 1.71830 -140.04883 324.54195
220.0000 56 0 -140.55857 1.88075 1.71465 -140.10231 314.54474
225.0000 56 0 -141.28393 1.63396 1.66921 -140.76742 272.61528
230.0000 56 0 -140.82950 1.97604 1.65304 -141.00414 258.08094
235.0000 56 0 -140.36925 2.05783 1.69033 -140.45825 289.11728
240.0000 56 0 -140.65622 1.94763 1.67486 -140.68470 280.61341
245.0000 56 0 -140.44429 2.02651 1.68073 -140.59871 284.06678
250.0000 56 0 -140.12973 2.34079 1.70858 -140.19117 311.02613
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 0 [min], 18.4936174 [s].
main_MD> Deallocating global variables
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