Thursday, October 31 2024 23:46:03
UNRES
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Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
Processor 1 out of 4 rank in CG_COMM 1
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initialize size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
ns= 0
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1 ivec_end
Processor 2 0 0 ivec_start 1 ivec_end
21
21
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
21
Processor 1 0 0 ivec_start 1 ivec_end
21
HOHOHOHO Make_RanVar!!!!! 50 0
phi( 7 )= 0.457219775497020
phi( 11 )= 0.419374802130486
phi( 11 )= -1.06541301838854
phi( 12 )= 0.753318719927387
phi( 17 )= 1.78267995163280
phi( 9 )= -0.703090893056189
phi( 13 )= -2.56004899996625
phi( 11 )= -1.92762136260311
phi( 8 )= -0.499604525133917
phi( 7 )= -1.41914569246842
phi( 9 )= -1.63745582819888
phi( 17 )= 1.92635344778814
phi( 7 )= -1.81850602805532
phi( 9 )= -0.211601241235155
phi( 9 )= 0.433390668118252
phi( 14 )= 0.435234595071760
phi( 14 )= 0.492172053403085
phi( 13 )= 3.01410822076474
phi( 18 )= -0.127111680709047
phi( 17 )= -1.13118731507967
phi( 17 )= 0.971986148481772
phi( 20 )= -0.718343232991239
phi( 9 )= -1.56553338547911
phi( 9 )= 2.52283556102877
phi( 19 )= 1.83768612402975
phi( 18 )= -7.128931138175387E-002
phi( 7 )= 0.573874952431831
phi( 9 )= -0.390631895041012
phi( 9 )= 0.618319515649625
phi( 19 )= 1.61812291940782
phi( 9 )= -1.69696933923035
phi( 19 )= -2.64871053673132
phi( 18 )= 1.40135797917050
phi( 8 )= 0.782285612046169
phi( 7 )= -1.67275873692137
phi( 9 )= -0.396708638399486
phi( 10 )= 1.50305672671754
phi( 9 )= -1.44458184015781
phi( 11 )= -2.26848544859340
phi( 9 )= 2.21193361244618
phi( 8 )= 2.07282053817356
phi( 7 )= -2.18506215329466
phi( 9 )= -1.46868339862407
phi( 10 )= -0.858332087955301
phi( 13 )= 2.92119854324908
phi( 4 )= -2.50060197779396
phi( 18 )= -1.20410922953057
phi( 18 )= -2.40276433204186
phi( 18 )= 1.61345901752671
phi( 21 )= 2.35260640101499
phi( 17 )= -0.258873195585399
phi( 21 )= 3.13577815902140
phi( 21 )= -1.63416197535811
phi( 20 )= -2.48692035555728
phi( 20 )= 2.38498137433683
phi( 4 )= -1.24769389247211
phi( 14 )= -0.689182018522444
phi( 14 )= 0.474784953867608
phi( 13 )= -0.808797957509114
phi( 14 )= -1.75731573121655
phi( 13 )= -3.088007363279521E-002
phi( 9 )= 3.315640462058145E-002
phi( 9 )= -2.79069966619080
phi( 11 )= 3.10385551326048
phi( 13 )= 2.93589378546897
phi( 18 )= 2.85632922275290
phi( 17 )= 1.51102737107756
phi( 11 )= 1.38340193446952
phi( 10 )= -2.30965092115611
phi( 14 )= 2.30191436703369
phi( 7 )= 0.116211348504021
phi( 8 )= 2.41847389512580
phi( 7 )= 0.609375039317863
phi( 7 )= 0.903289210877216
phi( 20 )= -2.78071219612480
phi( 10 )= -1.05800507407816
phi( 11 )= 2.95139891575148
phi( 20 )= 1.33559771532291
phi( 9 )= -1.81782090820981
phi( 8 )= -1.15124122312414
phi( 15 )= 2.84402041369661
phi( 14 )= 6.204566703663827E-002
phi( 6 )= 2.01171561321491
phi( 7 )= 2.58590323412806
phi( 6 )= -3.13384480186673
phi( 11 )= -2.63235483029843
Make_RanVar!!!!! m= 50 itrial= 50
Exitted from make_ranvar nconfr= 50
FEEDIN: NCONF= 50
UPDATING 97 97
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End of minim, proc 3 time 69.8427431583405
End of minim, proc 1 time 69.8427491188049
End of cycle, master time for 62 iters 69.8367018699646
sec, Eval/s 18926.1801403662
End of minim, proc 2 time 69.8433330059052
UPDATING 3 4
HOHOHOHO Make_RanVar!!!!! 50 0
phi( 8 )= 1.36952428898100
phi( 7 )= 2.85370910382283
phi( 8 )= 0.270340224932407
phi( 8 )= -0.445246375364766
phi( 15 )= -0.619695221050981
phi( 14 )= -2.59938469984665
phi( 16 )= 0.374419855817358
phi( 16 )= -0.683227127862008
phi( 19 )= -2.72993311253642
phi( 19 )= 0.177100656370044
phi( 19 )= -2.38162930736983
phi( 4 )= 1.48096674528764
phi( 17 )= -2.75493060802507
phi( 9 )= -1.92153496949424
phi( 16 )= -1.28469811441282
phi( 17 )= -1.75312994045627
phi( 15 )= -3.14051369903290
phi( 8 )= -0.459523827039991
phi( 17 )= 0.784366468499889
phi( 10 )= 0.639205026451255
phi( 11 )= -1.48917946252357
phi( 18 )= 2.80035528949889
phi( 13 )= 2.64718788407006
phi( 8 )= 5.033723073001228E-002
phi( 8 )= 1.69991494888272
phi( 9 )= 3.01009177721699
phi( 8 )= -0.535982011750287
phi( 10 )= 1.77802839524681
phi( 9 )= 1.96922904682609
phi( 9 )= 0.961700929107541
phi( 9 )= -0.698897930364677
phi( 9 )= 2.97075783712665
phi( 7 )= 1.53285617631613
phi( 12 )= 2.06777167915979
phi( 11 )= 0.499050614364164
phi( 9 )= 2.45793683189312
phi( 11 )= -2.01935969032527
phi( 17 )= -1.08026147681189
phi( 17 )= 1.78884828630968
phi( 4 )= 3.06937301997761
phi( 19 )= 2.00381574935771
phi( 7 )= 1.10241888505004
phi( 8 )= -0.372093921589945
phi( 9 )= -0.749691181501065
phi( 9 )= -1.55899148375120
phi( 9 )= -1.74907301833565
phi( 21 )= -1.83199354630854
phi( 21 )= -3.07251587339324
phi( 17 )= -0.837616908485041
phi( 17 )= -0.354513284288660
phi( 16 )= -7.294113701649341E-002
phi( 17 )= -1.76301249972052
phi( 17 )= -0.357495223955594
phi( 8 )= -2.391168515376574E-002
phi( 8 )= 0.126919141829143
phi( 8 )= -2.06350039995681
phi( 11 )= 1.95009558270479
phi( 10 )= -1.61141441132511
phi( 12 )= 1.93864071112040
phi( 11 )= -2.73299726287020
phi( 19 )= 2.30336375514120
phi( 7 )= -2.27664902261855
phi( 21 )= -2.72546697585504
phi( 20 )= 2.51565896012834
phi( 9 )= 3.02326021529346
phi( 12 )= -1.32692901529395
phi( 17 )= -1.19590939740053
phi( 12 )= 1.29854644404214
phi( 9 )= 0.581285185252586
phi( 9 )= -1.92526376415070
phi( 9 )= 0.500694597085789
phi( 10 )= -0.135843585867661
phi( 7 )= -0.348627074967817
phi( 7 )= -0.482597634112616
phi( 17 )= 1.05465571422272
phi( 13 )= -0.784826801362593
phi( 13 )= 2.65300657392998
phi( 20 )= -1.10218424195421
phi( 6 )= -1.27434993538053
phi( 10 )= -2.22195740771805
phi( 9 )= 0.454256521014727
phi( 9 )= 0.334560106881901
phi( 9 )= 2.26974912054083
phi( 5 )= 2.52893418316345
phi( 9 )= -0.402272000300202
phi( 10 )= -1.08799966476663
phi( 9 )= 2.78247032821564
phi( 7 )= -1.16582606741359
phi( 9 )= 0.962986068257177
phi( 21 )= -2.70560723214932
phi( 9 )= -1.13312882613544
phi( 13 )= 0.313977118718952
phi( 12 )= 0.220088077901611
phi( 12 )= -5.267831251801658E-002
phi( 12 )= 0.135062087155246
phi( 12 )= 1.80242986611432
phi( 6 )= -4.787579008252552E-002
phi( 17 )= 0.968970851734063
phi( 17 )= -2.68439836100926
phi( 9 )= 2.27713739567876
phi( 15 )= 1.59294922542021
phi( 14 )= 2.95738644603849
phi( 20 )= 2.55356451050401
phi( 6 )= 2.81062415617203
phi( 7 )= 2.11498648366497
phi( 20 )= 2.70574175783368
phi( 9 )= 1.97704129035687
phi( 17 )= 2.48966240724374
phi( 11 )= -0.605384885280797
phi( 11 )= -0.467202032056730
phi( 12 )= 2.47915339173477
phi( 8 )= -2.14191325026495
phi( 7 )= 1.51642796130978
phi( 9 )= 2.38551125312129
phi( 9 )= -0.665774358064836
phi( 9 )= -0.844867555071123
phi( 17 )= 2.68952648471094
Make_RanVar!!!!! m= 50 itrial= 50
Exitted from make_ranvar nconfr= 50
FEEDIN: NCONF= 50
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End of minim, proc 1 time 129.126254081726
End of minim, proc 2 time 129.126260042191
End of cycle, master time for 49 iters 58.0688722133636
End of minim, proc 3 time 129.131530046463
sec, Eval/s 19003.8304161526
UPDATING 3 4
End of RUN, master time 129.132981061935 sec, Eval/s
18955.7228515151
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Emin= -214.86226
Emin= -214.86226
Emin= -214.86226
Emin= -214.86226
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208
