Friday, November 01 2024 18:34:48
UNRES
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CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT Processor 0 out of 4 rank in CG_COMM 0 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 Inside initialize 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 1 out of 4 rank in CG_COMM 1 size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Inside initializeInside initializeInside initialize MPI: node= 0 iseed= -3059742 indpdb= 0 pdbref= F Call Read_Bridge. ns= 0 Processor 0 0 0 ivec_start 1 ivec_end 21 HOHOHOHO Make_RanVar!!!!! 50 0 phi( 7 )= 0.45721977549701975 phi( 11 )= 0.41937480213048639 phi( 11 )= -1.0654130183885404 phi( 12 )= 0.75331871992738675 phi( 17 )= 1.7826799516328045 phi( 9 )= -0.70309089305618944 phi( 13 )= -2.5600489999662526 phi( 11 )= -1.9276213626031122 phi( 8 )= -0.49960452513391695 phi( 7 )= -1.4191456924684178 phi( 9 )= -1.6374558281988849 phi( 17 )= 1.9263534477881414 MPI: node= 2 iseed= -9179228 phi( 7 )= -1.8185060280553182 phi( 9 )= -0.21160124123515489 phi( 9 )= 0.43339066811825244 MPI: node= 1 iseed= -6119485 phi( 14 )= 0.43523459507176021 phi( 14 )= 0.49217205340308467 phi( 13 )= 3.0141082207647392 phi( 18 )= -0.12711168070904710 phi( 17 )= -1.1311873150796661 phi( 17 )= 0.97198614848177201 indpdb= 0 pdbref= F Call Read_Bridge. ns= 0 Processor 2 0 0 ivec_start 1 ivec_end 21 indpdb= 0 pdbref= F phi( 20 )= -0.71834323299123914 Call Read_Bridge. ns= 0 Processor 1 0 0 ivec_start 1 ivec_end 21 phi( 9 )= -1.5655333854791067 phi( 9 )= 2.5228355610287743 phi( 19 )= 1.8376861240297506 phi( 18 )= -7.1289311381753873E-002 MPI: node= 3 iseed= -12238971 indpdb= 0 pdbref= F Call Read_Bridge. ns= 0 Processor 3 0 0 ivec_start 1 ivec_end 21 phi( 7 )= 0.57387495243183073 phi( 9 )= -0.39063189504101192 phi( 9 )= 0.61831951564962484 phi( 19 )= 1.6181229194078215 phi( 9 )= -1.6969693392303460 phi( 19 )= -2.6487105367313166 phi( 18 )= 1.4013579791705029 phi( 8 )= 0.78228561204616920 phi( 7 )= -1.6727587369213730 phi( 9 )= -0.39670863839948556 phi( 10 )= 1.5030567267175421 phi( 9 )= -1.4445818401578148 phi( 11 )= -2.2684854485933990 phi( 9 )= 2.2119336124461793 phi( 8 )= 2.0728205381735627 phi( 7 )= -2.1850621532946559 phi( 9 )= -1.4686833986240659 phi( 10 )= -0.85833208795530114 phi( 13 )= 2.9211985432490826 phi( 4 )= -2.5006019777939623 phi( 18 )= -1.2041092295305735 phi( 18 )= -2.4027643320418588 phi( 18 )= 1.6134590175267061 phi( 21 )= 2.3526064010149934 phi( 17 )= -0.25887319558539934 phi( 21 )= 3.1357781590214024 phi( 21 )= -1.6341619753581138 phi( 20 )= -2.4869203555572783 phi( 20 )= 2.3849813743368280 phi( 4 )= -1.2476938924721050 phi( 14 )= -0.68918201852244376 phi( 14 )= 0.47478495386760811 phi( 13 )= -0.80879795750911398 phi( 14 )= -1.7573157312165522 phi( 13 )= -3.0880073632795213E-002 phi( 9 )= 3.3156404620581448E-002 phi( 9 )= -2.7906996661907968 phi( 11 )= 3.1038555132604815 phi( 13 )= 2.9358937854689735 phi( 18 )= 2.8563292227529020 phi( 17 )= 1.5110273710775646 phi( 11 )= 1.3834019344695196 phi( 10 )= -2.3096509211561109 phi( 14 )= 2.3019143670336852 phi( 7 )= 0.11621134850402148 phi( 8 )= 2.4184738951258034 phi( 7 )= 0.60937503931786274 phi( 7 )= 0.90328921087721614 phi( 20 )= -2.7807121961247958 phi( 10 )= -1.0580050740781552 phi( 11 )= 2.9513989157514828 phi( 20 )= 1.3355977153229137 phi( 9 )= -1.8178209082098113 phi( 8 )= -1.1512412231241447 phi( 15 )= 2.8440204136966107 phi( 14 )= 6.2045667036638275E-002 phi( 6 )= 2.0117156132149141 phi( 7 )= 2.5859032341280574 phi( 6 )= -3.1338448018667342 phi( 11 )= -2.6323548302984254 Make_RanVar!!!!! m= 50 itrial= 50 Exitted from make_ranvar nconfr= 50 FEEDIN: NCONF= 50 UPDATING 97 97 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 End of minim, proc 3 time 92.292389869689941 End of minim, proc 1 time 92.333449125289917 End of cycle, master time for 41 iters 92.341866970062256 sec, Eval/s 18931.997558234136 End of minim, proc 2 time 92.350441217422485 UPDATING 3 4 HOHOHOHO Make_RanVar!!!!! 50 0 phi( 8 )= 1.3695242889809967 phi( 7 )= 2.8537091038228253 phi( 8 )= 0.27034022493240739 phi( 8 )= -0.44524637536476641 phi( 15 )= -0.61969522105098118 phi( 14 )= -2.5993846998466505 phi( 16 )= 0.37441985581735837 phi( 16 )= -0.68322712786200768 phi( 19 )= -2.7299331125364170 phi( 19 )= 0.17710065637004391 phi( 19 )= -2.3816293073698311 phi( 4 )= 1.4809667452876401 phi( 17 )= -2.7549306080250688 phi( 9 )= -1.9215349694942421 phi( 16 )= -1.2846981144128176 phi( 17 )= -1.7531299404562726 phi( 15 )= -3.1405136990328950 phi( 8 )= -0.45952382703999106 phi( 17 )= 0.78436646849988945 phi( 10 )= 0.63920502645125543 phi( 11 )= -1.4891794625235732 phi( 18 )= 2.8003552894988886 phi( 13 )= 2.6471878840700596 phi( 8 )= 5.0337230730012283E-002 phi( 8 )= 1.6999149488827250 phi( 9 )= 3.0100917772169931 phi( 8 )= -0.53598201175028715 phi( 10 )= 1.7780283952468050 phi( 9 )= 1.9692290468260856 phi( 9 )= 0.96170092910754068 phi( 9 )= -0.69889793036467740 phi( 9 )= 2.9707578371266496 phi( 7 )= 1.5328561763161339 phi( 12 )= 2.0677716791597920 phi( 11 )= 0.49905061436416442 phi( 9 )= 2.4579368318931243 phi( 11 )= -2.0193596903252655 phi( 17 )= -1.0802614768118950 phi( 17 )= 1.7888482863096797 phi( 4 )= 3.0693730199776112 phi( 19 )= 2.0038157493577140 phi( 7 )= 1.1024188850500352 phi( 8 )= -0.37209392158994525 phi( 9 )= -0.74969118150106517 phi( 9 )= -1.5589914837512033 phi( 9 )= -1.7490730183356527 phi( 21 )= -1.8319935463085413 phi( 21 )= -3.0725158733932441 phi( 17 )= -0.83761690848504111 phi( 17 )= -0.35451328428866047 phi( 16 )= -7.2941137016493407E-002 phi( 17 )= -1.7630124997205179 phi( 17 )= -0.35749522395559374 phi( 8 )= -2.3911685153765738E-002 phi( 8 )= 0.12691914182914266 phi( 8 )= -2.0635003999568111 phi( 11 )= 1.9500955827047859 phi( 10 )= -1.6114144113251117 phi( 12 )= 1.9386407111204020 phi( 11 )= -2.7329972628702017 phi( 19 )= 2.3033637551411967 phi( 7 )= -2.2766490226185492 phi( 21 )= -2.7254669758550394 phi( 20 )= 2.5156589601283397 phi( 9 )= 3.0232602152934573 phi( 12 )= -1.3269290152939546 phi( 17 )= -1.1959093974005295 phi( 12 )= 1.2985464440421381 phi( 9 )= 0.58128518525258555 phi( 9 )= -1.9252637641507031 phi( 9 )= 0.50069459708578945 phi( 10 )= -0.13584358586766054 phi( 7 )= -0.34862707496781686 phi( 7 )= -0.48259763411261636 phi( 17 )= 1.0546557142227195 phi( 13 )= -0.78482680136259253 phi( 13 )= 2.6530065739299822 phi( 20 )= -1.1021842419542094 phi( 6 )= -1.2743499353805319 phi( 10 )= -2.2219574077180475 phi( 9 )= 0.45425652101472691 phi( 9 )= 0.33456010688190085 phi( 9 )= 2.2697491205408333 phi( 5 )= 2.5289341831634493 phi( 9 )= -0.40227200030020249 phi( 10 )= -1.0879996647666261 phi( 9 )= 2.7824703282156378 phi( 7 )= -1.1658260674135859 phi( 9 )= 0.96298606825717670 phi( 21 )= -2.7056072321493247 phi( 9 )= -1.1331288261354429 phi( 13 )= 0.31397711871895151 phi( 12 )= 0.22008807790161100 phi( 12 )= -5.2678312518016579E-002 phi( 12 )= 0.13506208715524615 phi( 12 )= 1.8024298661143181 phi( 6 )= -4.7875790082525516E-002 phi( 17 )= 0.96897085173406339 phi( 17 )= -2.6843983610092641 phi( 9 )= 2.2771373956787633 phi( 15 )= 1.5929492254202087 phi( 14 )= 2.9573864460384947 phi( 20 )= 2.5535645105040095 phi( 6 )= 2.8106241561720280 phi( 7 )= 2.1149864836649739 phi( 20 )= 2.7057417578336791 phi( 9 )= 1.9770412903568664 phi( 17 )= 2.4896624072437374 phi( 11 )= -0.60538488528079659 phi( 11 )= -0.46720203205673005 phi( 12 )= 2.4791533917347657 phi( 8 )= -2.1419132502649525 phi( 7 )= 1.5164279613097751 phi( 9 )= 2.3855112531212876 phi( 9 )= -0.66577435806483631 phi( 9 )= -0.84486755507112266 phi( 17 )= 2.6895264847109441 Make_RanVar!!!!! m= 50 itrial= 50 Exitted from make_ranvar nconfr= 50 FEEDIN: NCONF= 50 UPDATING 97 97 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 End of minim, proc 2 time 216.55199623107910 End of minim, proc 3 time 216.55199193954468 End of cycle, master time for 57 iters 122.19897198677063 sec, Eval/s 18772.481983304639 UPDATING 3 4 End of minim, proc 1 time 216.64123606681824 HOHOHOHO Make_RanVar!!!!! 50 0 phi( 15 )= -0.79390761416455691 phi( 5 )= 0.26430882298333502 phi( 7 )= -2.0311953075988214 phi( 7 )= -1.9473687824329426 phi( 7 )= -0.89502418189313238 phi( 7 )= -3.0424061762976247 phi( 9 )= -8.2925240800237887E-003 phi( 8 )= -0.41228293817004102 phi( 9 )= 1.3527631723985793 CG Processor: 0: bad sampling box. 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CG Processor: 0: bad sampling box. phi( 9 )= -1.0257859928884372 phi( 10 )= 2.8174595693678386 phi( 17 )= 2.6728346731868617 phi( 20 )= -1.0335900365472632 phi( 17 )= 1.7222614628659878 phi( 6 )= -1.3043389292678440 phi( 9 )= 1.9350223073424706 phi( 8 )= -1.0773823221889760 phi( 10 )= 5.0712732028870722E-002 phi( 9 )= 0.52003543090953830 phi( 21 )= 1.3852117610920942 phi( 17 )= -2.2127070305233776 phi( 20 )= -2.5042681733448409 phi( 4 )= -2.3541690292770356 phi( 11 )= 0.75656079383090846 phi( 20 )= -2.9786025428375131 phi( 9 )= -1.4817290218831223 phi( 10 )= 1.4333711916002159 phi( 11 )= 1.4284332871687644 phi( 13 )= -1.2452870157218074 phi( 11 )= 0.19419245774812133 phi( 6 )= 1.3682715717299345 phi( 9 )= 1.3764545732895375 phi( 14 )= -1.6740585954497607 phi( 8 )= 0.28842069376536639 phi( 9 )= -8.3581050006125146E-003 phi( 9 )= 0.34676102444699541 phi( 8 )= -2.2145296777113086 phi( 9 )= 0.22514974779519559 phi( 9 )= -1.7494205653450332 phi( 20 )= -0.26567787217192418 phi( 11 )= 2.4655423754741808 phi( 10 )= 2.8527800238400811 phi( 14 )= 1.8171133059649254 phi( 16 )= -0.17557919434628522 phi( 16 )= -1.3681087600044577 phi( 13 )= -0.10293331201994738 phi( 13 )= -2.9787677789483382 phi( 9 )= 2.1724929714947709 phi( 8 )= 0.89877951699542002 phi( 6 )= 0.90502441396702427 phi( 11 )= -1.5745112123354998 phi( 17 )= 2.6090955636121160 phi( 17 )= 0.14062190712048661 phi( 17 )= -0.38956291481092320 phi( 17 )= -0.22000010199350628 phi( 17 )= 2.5734213195175029 phi( 20 )= -2.7504983560591816 phi( 7 )= -2.9029621608651359 phi( 10 )= 2.0996293830794528 phi( 12 )= -2.9610770524173327 phi( 15 )= 2.8620933307998975 phi( 7 )= 2.1283454803291280 phi( 19 )= 1.3600001483735369 phi( 10 )= 0.45320737125681054 phi( 10 )= 0.44835559810902925 phi( 10 )= -1.9276036908700822 phi( 17 )= -0.97945794431474731 phi( 19 )= -2.0279710517815706 phi( 19 )= 0.68923891276987348 phi( 19 )= -2.3383858239796416 phi( 19 )= 2.7513862243434346 phi( 8 )= -2.3240486581959403 phi( 21 )= -2.4966035603479964 phi( 16 )= 1.4988786499248734 phi( 15 )= 2.1985743846360011 phi( 9 )= -2.5049217818868037 phi( 19 )= 0.50653444968405559 phi( 7 )= -2.0586721312114848 phi( 9 )= 2.9711478227139736 phi( 9 )= -0.93323036142425631 phi( 13 )= -1.4097827872858701 phi( 12 )= 1.3712705683973727 phi( 17 )= -1.1228614611600012 phi( 17 )= -2.6526894368320240 phi( 19 )= 1.4766899668477143 phi( 18 )= -1.9090571449800262 phi( 17 )= -2.9859704926167625 phi( 18 )= 8.4547242590069516E-003 CG Processor: 0: bad sampling box. 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CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. CG Processor: 0: bad sampling box. phi( 9 )= 1.7189028666190280 phi( 11 )= 0.21580212969388457 phi( 9 )= -0.38027024906980778 phi( 9 )= 0.15637430209100067 phi( 9 )= 0.23532356837552548 phi( 9 )= -0.93237415275903412 phi( 14 )= -2.0618476034750595 phi( 14 )= 2.1373131788028221 phi( 9 )= 1.1159931676503296 phi( 9 )= -0.44381579553679673 Make_RanVar!!!!! m= 50 itrial= 52 Exitted from make_ranvar nconfr= 50 FEEDIN: NCONF= 50 UPDATING 97 97 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 UPDATING 100 100 End of minim, proc 1 time 250.42286610603333 End of minim, proc 3 time 250.42550897598267 End of cycle, master time for 12 iters 31.786404848098755 sec, Eval/s 18636.929933755418 UPDATING 3 4 End of minim, proc 2 time 250.44606208801270 End of RUN, master time 250.45355391502380 sec, Eval/s 18803.398579833454 CG processor 0 is finishing work. CG processor 2 is finishing work. CG processor 3 is finishing work. CG processor 1 is finishing work. Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP Bye Bye... Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP Bye Bye... Note: The following floating-point exceptions are signalling: IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP Bye Bye... Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP Bye Bye... Emin= 30.62296 Emin= 30.62296 Emin= 30.62296 Emin= 30.62296 difference .69472 from reference emin 29.92824 difference .69472 from reference emin 29.92824 difference .69472 from reference emin 29.92824 difference .69472 from reference emin 29.92824
