# serial: JuKKR_v3.1-1688-gd73dc5b_intel_20200325193419
 PRECONDITIONING_start                        7.79829978942871     
 read potential                              0.139599993824959     
 time until scf starts                        7.96010017395020     
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 gref->gmat                                  0.134200006723404     
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 gonsite->density                             21.3826999664307     
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 gref->gmat                                  0.165099993348122     
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 ---rll call---                               1.49010002613068     
 ---rll call---                               1.48769998550415     
 gonsite->density                             16.8659000396729     
 MPI comm : charge density                   0.171599999070168     
 energyloop                                   211.785095214844     
 energy loop                                  211.823303222656     
 time after energy loop                       1.11710000038147     
 Iteration number 001                         212.940399169922     
 ---rll call---                               2.23920011520386     
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 gref->gmat                                  0.187199994921684     
 ---rll call---                               2.18219995498657     
 ---rll call---                               1.77400004863739     
 ---rll call---                               1.77699995040894     
 ---rll call---                               1.79149997234344     
 gonsite->density                             21.2516002655029     
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 ---rll call---                               1.46109998226166     
 gref->gmat                                  0.163900002837181     
 ---rll call---                               1.88049995899200     
 ---rll call---                               1.48720002174377     
 ---rll call---                               1.48599994182587     
 ---rll call---                               1.43649995326996     
 gonsite->density                             16.7851009368896     
 MPI comm : charge density                   0.166099995374680     
 energyloop                                   212.636993408203     
 energy loop                                  212.678497314453     
 time after energy loop                       1.10989999771118     
 Iteration number 002                         213.788406372070     
 ---rll call---                               2.09699988365173     
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 gref->gmat                                  0.185100004076958     
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 gonsite->density                             21.2775993347168     
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 ---rll call---                               1.49109995365143     
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 ---rll call---                               1.48249995708466     
 gref->gmat                                  0.164800003170967     
 ---rll call---                               1.80069994926453     
 ---rll call---                               1.48800003528595     
 ---rll call---                               1.49829995632172     
 ---rll call---                               1.56550002098083     
 gonsite->density                             17.0946998596191     
 MPI comm : charge density                   0.164499998092651     
 energyloop                                   212.978698730469     
 energy loop                                  213.011505126953     
 time after energy loop                       1.11280000209808     
 Iteration number 003                         214.124603271484     
 ---rll call---                               2.09170007705688     
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 ---rll call---                               1.77909994125366     
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 gref->gmat                                  0.184599995613098     
 ---rll call---                               2.13540005683899     
 ---rll call---                               1.77479994297028     
 ---rll call---                               1.78340005874634     
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 gonsite->density                             21.6012992858887     
 ---rll call---                               1.78530001640320     
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 gref->gmat                                  0.164000004529953     
 ---rll call---                               1.79009997844696     
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 ---rll call---                               1.48889994621277     
 ---rll call---                               1.47389996051788     
 gonsite->density                             16.7352008819580     
 MPI comm : charge density                   0.164000004529953     
 energyloop                                   212.657699584961     
 energy loop                                  212.699798583984     
 time after energy loop                       1.11399996280670     
 Iteration number 004                         213.814407348633     
 ---rll call---                               2.09649991989136     
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 gref->gmat                                  0.186299994587898     
 ---rll call---                               2.15879988670349     
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 ---rll call---                               1.76289999485016     
 gonsite->density                             21.1972999572754     
 ---rll call---                               1.78269994258881     
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 ---rll call---                               1.48730003833771     
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 ---rll call---                               1.48160004615784     
 gref->gmat                                  0.164800003170967     
 ---rll call---                               1.85109996795654     
 ---rll call---                               1.49059998989105     
 ---rll call---                               1.48520004749298     
 ---rll call---                               1.47000002861023     
 gonsite->density                             16.9638004302979     
 MPI comm : charge density                   0.164399996399879     
 energyloop                                   213.268005371094     
 energy loop                                  213.299697875977     
 time after energy loop                       1.11670005321503     
 Iteration number 005                         214.416503906250     
 ---rll call---                               2.09840011596680     
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 gref->gmat                                  0.186199992895126     
 ---rll call---                               2.15000009536743     
 ---rll call---                               2.16519999504089     
 ---rll call---                               1.77719998359680     
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 gonsite->density                             21.6142997741699     
 ---rll call---                               1.77409994602203     
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 ---rll call---                               1.45899999141693     
 ---rll call---                               1.45480000972748     
 ---rll call---                               1.45130002498627     
 gref->gmat                                  0.164399996399879     
 ---rll call---                               1.78289997577667     
 ---rll call---                               1.47870004177094     
 ---rll call---                               1.48759996891022     
 ---rll call---                               1.43079996109009     
 gonsite->density                             16.6007995605469     
 MPI comm : charge density                   0.164000004529953     
 energyloop                                   213.126907348633     
 energy loop                                  213.168106079102     
 time after energy loop                       1.12020003795624     
 Iteration number 006                         214.288299560547     
 ---rll call---                               2.10229992866516     
 ---rll call---                               2.08599996566772     
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 ---rll call---                               1.77989995479584     
 ---rll call---                               1.78110003471375     
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 gref->gmat                                  0.186100006103516     
 ---rll call---                               2.15700006484985     
 ---rll call---                               1.77119994163513     
 ---rll call---                               1.77129995822906     
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 gonsite->density                             21.1182003021240     
 ---rll call---                               1.78690004348755     
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 ---rll call---                               1.55900001525879     
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 gref->gmat                                  0.164499998092651     
 ---rll call---                               1.75399994850159     
 ---rll call---                               1.45079994201660     
 ---rll call---                               1.45620000362396     
 ---rll call---                               1.41270005702972     
 gonsite->density                             16.4298992156982     
 MPI comm : charge density                   0.164700001478195     
 energyloop                                   213.044799804688     
 energy loop                                  213.085998535156     
 time after energy loop                       1.12820005416870     
 Iteration number 007                         214.214202880859     
 ---rll call---                               2.09840011596680     
 ---rll call---                               2.08969998359680     
 ---rll call---                               2.10980010032654     
 ---rll call---                               2.13289999961853     
 ---rll call---                               1.72339999675751     
 ---rll call---                               1.75429999828339     
 ---rll call---                               1.72930002212524     
 ---rll call---                               1.90310001373291     
 ---rll call---                               2.13420009613037     
 ---rll call---                               2.39960002899170     
 ---rll call---                               2.14720010757446     
 ---rll call---                               2.06250000000000     
 ---rll call---                               2.17100000381470     
 ---rll call---                               2.14730000495911     
 ---rll call---                               2.13680005073547     
 ---rll call---                               2.13899993896484     
 ---rll call---                               2.14269995689392     
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 ---rll call---                               2.13930010795593     
 ---rll call---                               2.14980006217957     
 ---rll call---                               2.14910006523132     
 ---rll call---                               1.78410005569458     
 ---rll call---                               1.77520000934601     
 ---rll call---                               1.78030002117157     
 gref->gmat                                  0.185399994254112     
 ---rll call---                               2.38790011405945     
 ---rll call---                               1.77980005741119     
 ---rll call---                               1.77929997444153     
 ---rll call---                               1.75720000267029     
 gonsite->density                             21.9426002502441     
 ---rll call---                               1.75179994106293     
 ---rll call---                               1.88300001621246     
 ---rll call---                               1.79460000991821     
 ---rll call---                               1.79589998722076     
 ---rll call---                               1.44439995288849     
 ---rll call---                               1.46609997749329     
 ---rll call---                               1.46710002422333     
 ---rll call---                               1.62479996681213     
 ---rll call---                               1.77660000324249     
 ---rll call---                               1.78110003471375     
 ---rll call---                               1.78149998188019     
 ---rll call---                               1.92460000514984     
 ---rll call---                               1.80429995059967     
 ---rll call---                               1.78310000896454     
 ---rll call---                               1.79550004005432     
 ---rll call---                               1.78740000724792     
 ---rll call---                               1.78340005874634     
 ---rll call---                               1.78740000724792     
 ---rll call---                               1.79219996929169     
 ---rll call---                               1.79830002784729     
 ---rll call---                               1.79089999198914     
 ---rll call---                               1.48759996891022     
 ---rll call---                               1.48399996757507     
 ---rll call---                               1.48160004615784     
 gref->gmat                                  0.164599999785423     
 ---rll call---                               1.79180002212524     
 ---rll call---                               1.52439999580383     
 ---rll call---                               1.48269999027252     
 ---rll call---                               1.41960000991821     
 gonsite->density                             16.8488006591797     
 MPI comm : charge density                   0.163800001144409     
 energyloop                                   212.726104736328     
 energy loop                                  212.767196655273     
 time after energy loop                       1.12679994106293     
 Iteration number 008                         213.893997192383     
 ---rll call---                               2.11829996109009     
 ---rll call---                               2.19779992103577     
 ---rll call---                               2.06319999694824     
 ---rll call---                               2.10159993171692     
 ---rll call---                               1.74409997463226     
 ---rll call---                               1.71510004997253     
 ---rll call---                               1.73380005359650     
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 ---rll call---                               2.08520007133484     
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 ---rll call---                               2.20190000534058     
 ---rll call---                               2.27099990844727     
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 ---rll call---                               2.16770005226135     
 ---rll call---                               1.77939999103546     
 ---rll call---                               1.78310000896454     
 ---rll call---                               1.78199994564056     
 gref->gmat                                  0.195899993181229     
 ---rll call---                               2.14599990844727     
 ---rll call---                               1.77129995822906     
 ---rll call---                               1.78120005130768     
 ---rll call---                               1.76890003681183     
 gonsite->density                             21.1382999420166     
 ---rll call---                               1.75820004940033     
 ---rll call---                               1.84949994087219     
 ---rll call---                               1.97409999370575     
 ---rll call---                               1.79809999465942     
 ---rll call---                               1.44420003890991     
 ---rll call---                               1.44439995288849     
 ---rll call---                               1.48580002784729     
 ---rll call---                               1.62569999694824     
 ---rll call---                               1.75039994716644     
 ---rll call---                               1.74919998645782     
 ---rll call---                               1.78260004520416     
 ---rll call---                               1.79470002651215     
 ---rll call---                               1.78159999847412     
 ---rll call---                               1.78209996223450     
 ---rll call---                               1.79489994049072     
 ---rll call---                               1.78149998188019     
 ---rll call---                               1.78149998188019     
 ---rll call---                               1.78729999065399     
 ---rll call---                               1.80680000782013     
 ---rll call---                               1.92929995059967     
 ---rll call---                               1.78789997100830     
 ---rll call---                               1.49100005626678     
 ---rll call---                               1.48580002784729     
 ---rll call---                               1.48500001430511     
 gref->gmat                                  0.165000006556511     
 ---rll call---                               1.83440005779266     
 ---rll call---                               1.48849999904633     
 ---rll call---                               1.48819994926453     
 ---rll call---                               1.41939997673035     
 gonsite->density                             16.9596996307373     
 MPI comm : charge density                   0.163900002837181     
 energyloop                                   213.158401489258     
 energy loop                                  213.199600219727     
 time after energy loop                       1.13039994239807     
 Iteration number 009                         214.330505371094     
 ---rll call---                               2.08890008926392     
 ---rll call---                               2.08470010757446     
 ---rll call---                               2.11010003089905     
 ---rll call---                               2.18199992179871     
 ---rll call---                               1.72899997234344     
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 ---rll call---                               1.72920000553131     
 ---rll call---                               2.14030003547668     
 ---rll call---                               2.18029999732971     
 ---rll call---                               2.13890004158020     
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 ---rll call---                               2.14010000228882     
 ---rll call---                               2.13730001449585     
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 ---rll call---                               2.14899992942810     
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 ---rll call---                               2.24399995803833     
 ---rll call---                               2.01600003242493     
 ---rll call---                               1.81019997596741     
 ---rll call---                               1.78649997711182     
 gref->gmat                                  0.185499995946884     
 ---rll call---                               2.15129995346069     
 ---rll call---                               1.75909996032715     
 ---rll call---                               1.76859998703003     
 ---rll call---                               1.77859997749329     
 gonsite->density                             21.3715000152588     
 ---rll call---                               1.78470003604889     
 ---rll call---                               1.78910005092621     
 ---rll call---                               1.79470002651215     
 ---rll call---                               1.79299998283386     
 ---rll call---                               1.44620001316071     
 ---rll call---                               1.55379998683929     
 ---rll call---                               1.44140005111694     
 ---rll call---                               1.78199994564056     
 ---rll call---                               1.77730000019073     
 ---rll call---                               1.95190000534058     
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 ---rll call---                               1.80110001564026     
 ---rll call---                               1.78939998149872     
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 ---rll call---                               1.78970003128052     
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 ---rll call---                               1.79330003261566     
 ---rll call---                               1.78750002384186     
 ---rll call---                               1.80089998245239     
 ---rll call---                               1.78929996490479     
 ---rll call---                               1.48520004749298     
 ---rll call---                               1.48109996318817     
 ---rll call---                               1.48169994354248     
 gref->gmat                                  0.165600001811981     
 ---rll call---                               1.79419994354248     
 ---rll call---                               1.48880004882812     
 ---rll call---                               1.48440003395081     
 ---rll call---                               1.51269996166229     
 gonsite->density                             16.9543991088867     
 MPI comm : charge density                   0.164599999785423     
 energyloop                                   213.536193847656     
 energy loop                                  213.577499389648     
 time after energy loop                       1.12759995460510     
 Iteration number 010                         214.705505371094     
 ---rll call---                               2.09870004653931     
 ---rll call---                               2.09549999237061     
 ---rll call---                               2.11089992523193     
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 ---rll call---                               1.71440005302429     
 ---rll call---                               1.74650001525879     
 ---rll call---                               1.73619997501373     
 ---rll call---                               1.92729997634888     
 ---rll call---                               2.15739989280701     
 ---rll call---                               2.16109991073608     
 ---rll call---                               2.17100000381470     
 ---rll call---                               2.09340000152588     
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 ---rll call---                               2.16339993476868     
 ---rll call---                               2.13330006599426     
 ---rll call---                               2.14269995689392     
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 ---rll call---                               2.27710008621216     
 ---rll call---                               2.14599990844727     
 ---rll call---                               2.14809989929199     
 ---rll call---                               1.78880000114441     
 ---rll call---                               1.79089999198914     
 ---rll call---                               1.77629995346069     
 gref->gmat                                  0.186000004410744     
 ---rll call---                               2.13330006599426     
 ---rll call---                               1.77839994430542     
 ---rll call---                               1.75870001316071     
 ---rll call---                               1.94120001792908     
 gonsite->density                             21.6536998748779     
 ---rll call---                               1.92270004749298     
 ---rll call---                               1.79729998111725     
 ---rll call---                               1.79499995708466     
 ---rll call---                               1.79130005836487     
 ---rll call---                               1.44480001926422     
 ---rll call---                               1.45029997825623     
 ---rll call---                               1.44879996776581     
 ---rll call---                               1.62220001220703     
 ---rll call---                               1.78240001201630     
 ---rll call---                               1.79340004920959     
 ---rll call---                               1.78980004787445     
 ---rll call---                               1.79309999942780     
 ---rll call---                               1.75090003013611     
 ---rll call---                               1.75670003890991     
 ---rll call---                               1.75380003452301     
 ---rll call---                               1.75339996814728     
 ---rll call---                               1.90090000629425     
 ---rll call---                               1.75720000267029     
 ---rll call---                               1.75419998168945     
 ---rll call---                               1.75129997730255     
 ---rll call---                               1.79159998893738     
 ---rll call---                               1.48749995231628     
 ---rll call---                               1.48000001907349     
 ---rll call---                               1.47759997844696     
 gref->gmat                                  0.165600001811981     
 ---rll call---                               1.79760003089905     
 ---rll call---                               1.49259996414185     
 ---rll call---                               1.48989999294281     
 ---rll call---                               1.44889998435974     
 gonsite->density                             16.7693004608154     
 MPI comm : charge density                   0.164900004863739     
 energyloop                                   212.500503540039     
 energy loop                                  212.532592773438     
 time after energy loop                       1.12740004062653     
 Iteration number 011                         213.660095214844     
 ---rll call---                               2.10330009460449     
 ---rll call---                               2.08640003204346     
 ---rll call---                               2.10269999504089     
 ---rll call---                               2.11619997024536     
 ---rll call---                               1.76510000228882     
 ---rll call---                               1.88859999179840     
 ---rll call---                               1.72210001945496     
 ---rll call---                               1.87919998168945     
 ---rll call---                               2.12220001220703     
 ---rll call---                               2.14700007438660     
 ---rll call---                               2.14840006828308     
 ---rll call---                               2.06599998474121     
 ---rll call---                               2.13860011100769     
 ---rll call---                               2.14260005950928     
 ---rll call---                               2.13890004158020     
 ---rll call---                               2.13750004768372     
 ---rll call---                               2.14779996871948     
 ---rll call---                               2.13630008697510     
 ---rll call---                               2.16000008583069     
 ---rll call---                               2.28839993476868     
 ---rll call---                               2.15650010108948     
 ---rll call---                               1.79470002651215     
 ---rll call---                               1.78460001945496     
 ---rll call---                               1.78349995613098     
 gref->gmat                                  0.185499995946884     
 ---rll call---                               2.14089989662170     
 ---rll call---                               1.77939999103546     
 ---rll call---                               1.77289998531342     
 ---rll call---                               1.75590002536774     
 gonsite->density                             21.1212005615234     
 ---rll call---                               1.77690005302429     
 ---rll call---                               1.80069994926453     
 ---rll call---                               1.79410004615784     
 ---rll call---                               1.80250000953674     
 ---rll call---                               1.44009995460510     
 ---rll call---                               1.45029997825623     
 ---rll call---                               1.45329999923706     
 ---rll call---                               1.75580000877380     
 ---rll call---                               1.77960002422333     
 ---rll call---                               1.79849994182587     
 ---rll call---                               1.79260003566742     
 ---rll call---                               1.79579997062683     
 ---rll call---                               1.75759994983673     
 ---rll call---                               1.75600004196167     
 ---rll call---                               1.75259995460510     
 ---rll call---                               1.75539994239807     
 ---rll call---                               1.74930000305176     
 ---rll call---                               1.75969994068146     
 ---rll call---                               1.75349998474121     
 ---rll call---                               1.75539994239807     
 ---rll call---                               1.75800001621246     
 ---rll call---                               1.46130001544952     
 ---rll call---                               1.45239996910095     
 ---rll call---                               1.47329998016357     
 gref->gmat                                  0.165999993681908     
 ---rll call---                               1.79970002174377     
 ---rll call---                               1.58729994297028     
 ---rll call---                               1.48979997634888     
 ---rll call---                               1.42309999465942     
 gonsite->density                             16.9407005310059     
 MPI comm : charge density                   0.164000004529953     
 energyloop                                   213.350006103516     
 energy loop                                  213.391098022461     
 time after energy loop                       1.12969994544983     
 Iteration number 012                         214.520797729492     
 ---rll call---                               2.29649996757507     
 ---rll call---                               2.05259990692139     
 ---rll call---                               2.09010004997253     
 ---rll call---                               2.13720011711121     
 ---rll call---                               1.71389997005463     
 ---rll call---                               1.73469996452332     
 ---rll call---                               1.73179996013641     
 ---rll call---                               1.88950002193451     
 ---rll call---                               2.14770007133484     
 ---rll call---                               2.14359998703003     
 ---rll call---                               2.16890001296997     
 ---rll call---                               2.28789997100830     
 ---rll call---                               2.13989996910095     
 ---rll call---                               2.14459991455078     
 ---rll call---                               2.15709996223450     
 ---rll call---                               2.14170002937317     
 ---rll call---                               2.14369988441467     
 ---rll call---                               2.13980007171631     
 ---rll call---                               2.14299988746643     
 ---rll call---                               2.15980005264282     
 ---rll call---                               2.15799999237061     
 ---rll call---                               1.78680002689362     
 ---rll call---                               1.80149996280670     
 ---rll call---                               1.78020000457764     
 gref->gmat                                  0.185200005769730     
 ---rll call---                               2.14709997177124     
 ---rll call---                               1.92999994754791     
 ---rll call---                               1.77820003032684     
 ---rll call---                               1.77880001068115     
 gonsite->density                             21.7166004180908     
 ---rll call---                               1.78190004825592     
 ---rll call---                               1.79309999942780     
 ---rll call---                               1.79569995403290     
 ---rll call---                               1.79690003395081     
 ---rll call---                               1.44830000400543     
 ---rll call---                               1.44910001754761     
 ---rll call---                               1.46949994564056     
 ---rll call---                               1.62629997730255     
 ---rll call---                               1.74689996242523     
 ---rll call---                               1.77260005474091     
 ---rll call---                               1.79519999027252     
 ---rll call---                               1.79960000514984     
 ---rll call---                               1.75310003757477     
 ---rll call---                               1.75360000133514     
 ---rll call---                               1.98650002479553     
 ---rll call---                               1.79670000076294     
 ---rll call---                               1.79270005226135     
 ---rll call---                               1.79330003261566     
 ---rll call---                               1.78750002384186     
 ---rll call---                               1.79690003395081     
 ---rll call---                               1.79200005531311     
 ---rll call---                               1.48870003223419     
 ---rll call---                               1.48169994354248     
 ---rll call---                               1.47930002212524     
 gref->gmat                                  0.165000006556511     
 ---rll call---                               1.79519999027252     
 ---rll call---                               1.48590004444122     
 ---rll call---                               1.48790001869202     
 ---rll call---                               1.42840003967285     
 gonsite->density                             16.6949005126953     
 MPI comm : charge density                   0.165199995040894     
 energyloop                                   213.430404663086     
 energy loop                                  213.472595214844     
 time after energy loop                       1.12929999828339     
 Iteration number 013                         214.601898193359     
 ---rll call---                               2.07899999618530     
 ---rll call---                               2.08890008926392     
 ---rll call---                               2.17039990425110     
 ---rll call---                               2.12179994583130     
 ---rll call---                               1.70130002498627     
 ---rll call---                               1.72099995613098     
 ---rll call---                               1.72370004653931     
 ---rll call---                               1.87909996509552     
 ---rll call---                               2.15989995002747     
 ---rll call---                               2.14369988441467     
 ---rll call---                               2.14800000190735     
 ---rll call---                               2.08540010452271     
 ---rll call---                               2.13899993896484     
 ---rll call---                               2.15910005569458     
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 ---rll call---                               2.14120006561279     
 ---rll call---                               2.20169997215271     
 ---rll call---                               2.21679997444153     
 ---rll call---                               2.15799999237061     
 ---rll call---                               2.13759994506836     
 ---rll call---                               2.14019989967346     
 ---rll call---                               1.79229998588562     
 ---rll call---                               1.77730000019073     
 ---rll call---                               1.79320001602173     
 gref->gmat                                  0.183699995279312     
 ---rll call---                               2.14280009269714     
 ---rll call---                               1.76880002021790     
 ---rll call---                               1.76629996299744     
 ---rll call---                               1.77409994602203     
 gonsite->density                             21.2178993225098     
 ---rll call---                               1.77859997749329     
 ---rll call---                               1.80130004882812     
 ---rll call---                               1.78760004043579     
 ---rll call---                               1.79069995880127     
 ---rll call---                               1.58109998703003     
 ---rll call---                               1.45389997959137     
 ---rll call---                               1.45239996910095     
 ---rll call---                               1.62339997291565     
 ---rll call---                               1.77660000324249     
 ---rll call---                               1.79939997196198     
 ---rll call---                               1.79630005359650     
 ---rll call---                               1.80019998550415     
 ---rll call---                               1.78419995307922     
 ---rll call---                               1.79659998416901     
 ---rll call---                               1.79659998416901     
 ---rll call---                               1.79390001296997     
 ---rll call---                               1.79359996318817     
 ---rll call---                               1.85469996929169     
 ---rll call---                               1.79799997806549     
 ---rll call---                               1.79630005359650     
 ---rll call---                               1.79270005226135     
 ---rll call---                               1.57260000705719     
 ---rll call---                               1.61609995365143     
 ---rll call---                               1.49530005455017     
 gref->gmat                                  0.174500003457069     
 ---rll call---                               1.79680001735687     
 ---rll call---                               1.48780000209808     
 ---rll call---                               1.48500001430511     
 ---rll call---                               1.43509995937347     
 gonsite->density                             16.7198009490967     
 MPI comm : charge density                   0.164800003170967     
 energyloop                                   213.258407592773     
 energy loop                                  213.300003051758     
 time after energy loop                       1.13279998302460     
 Iteration number 014                         214.432800292969     
 ---rll call---                               2.08069992065430     
 ---rll call---                               2.08290004730225     
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 ---rll call---                               2.12409996986389     
 ---rll call---                               1.72599995136261     
 ---rll call---                               1.75209999084473     
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 ---rll call---                               1.89289999008179     
 ---rll call---                               2.15280008316040     
 ---rll call---                               2.43449997901917     
 ---rll call---                               2.14960002899170     
 ---rll call---                               2.07249999046326     
 ---rll call---                               2.14030003547668     
 ---rll call---                               2.14890003204346     
 ---rll call---                               2.13579988479614     
 ---rll call---                               2.13030004501343     
 ---rll call---                               2.13339996337891     
 ---rll call---                               2.14070010185242     
 ---rll call---                               2.15149998664856     
 ---rll call---                               2.14389991760254     
 ---rll call---                               2.16109991073608     
 ---rll call---                               1.79519999027252     
 ---rll call---                               1.78260004520416     
 ---rll call---                               1.78499996662140     
 gref->gmat                                  0.187099993228912     
 ---rll call---                               2.29609990119934     
 ---rll call---                               1.77359998226166     
 ---rll call---                               1.77349996566772     
 ---rll call---                               1.75829994678497     
 gonsite->density                             21.6501007080078     
 ---rll call---                               1.77660000324249     
 ---rll call---                               1.88829994201660     
 ---rll call---                               1.79939997196198     
 ---rll call---                               1.79320001602173     
 ---rll call---                               1.44679999351501     
 ---rll call---                               1.45109999179840     
 ---rll call---                               1.44340002536774     
 ---rll call---                               1.62049996852875     
 ---rll call---                               1.75730001926422     
 ---rll call---                               1.77699995040894     
 ---rll call---                               1.77769994735718     
 ---rll call---                               1.80209994316101     
 ---rll call---                               1.87600004673004     
 ---rll call---                               1.77429997920990     
 ---rll call---                               1.77160000801086     
 ---rll call---                               1.77810001373291     
 ---rll call---                               1.77059996128082     
 ---rll call---                               1.77719998359680     
 ---rll call---                               1.77059996128082     
 ---rll call---                               1.78960001468658     
 ---rll call---                               1.78960001468658     
 ---rll call---                               1.48450005054474     
 ---rll call---                               1.48790001869202     
 ---rll call---                               1.47650003433228     
 gref->gmat                                  0.164399996399879     
 ---rll call---                               1.79410004615784     
 ---rll call---                               1.48609995841980     
 ---rll call---                               1.48730003833771     
 ---rll call---                               1.45350003242493     
 gonsite->density                             16.7122993469238     
 MPI comm : charge density                   0.165099993348122     
 energyloop                                   212.416503906250     
 energy loop                                  212.458099365234     
 time after energy loop                       1.13329994678497     
 Iteration number 015                         213.591506958008     
 ---rll call---                               2.17239999771118     
 ---rll call---                               2.15799999237061     
 ---rll call---                               2.06949996948242     
 ---rll call---                               2.12639999389648     
 ---rll call---                               1.71239995956421     
 ---rll call---                               1.70089995861053     
 ---rll call---                               1.72290003299713     
 ---rll call---                               1.87870001792908     
 ---rll call---                               2.13989996910095     
 ---rll call---                               2.14079999923706     
 ---rll call---                               2.14210009574890     
 ---rll call---                               2.07030010223389     
 ---rll call---                               2.12980008125305     
 ---rll call---                               2.15269994735718     
 ---rll call---                               2.15490007400513     
 ---rll call---                               2.35850000381470     
 ---rll call---                               2.14369988441467     
 ---rll call---                               2.15039992332458     
 ---rll call---                               2.14359998703003     
 ---rll call---                               2.16219997406006     
 ---rll call---                               2.15120005607605     
 ---rll call---                               1.78530001640320     
 ---rll call---                               1.77869999408722     
 ---rll call---                               1.78279995918274     
 gref->gmat                                  0.186900004744530     
 ---rll call---                               2.14619994163513     
 ---rll call---                               1.77880001068115     
 ---rll call---                               1.76189994812012     
 ---rll call---                               1.76279997825623     
 gonsite->density                             21.1247005462646     
 ---rll call---                               1.78859996795654     
 ---rll call---                               1.81560003757477     
 ---rll call---                               1.97780001163483     
 ---rll call---                               1.78960001468658     
 ---rll call---                               1.44089996814728     
 ---rll call---                               1.44990003108978     
 ---rll call---                               1.45079994201660     
 ---rll call---                               1.62720000743866     
 ---rll call---                               1.78020000457764     
 ---rll call---                               1.79519999027252     
 ---rll call---                               1.78849995136261     
 ---rll call---                               1.79009997844696     
 ---rll call---                               1.75849997997284     
 ---rll call---                               1.75720000267029     
 ---rll call---                               1.75179994106293     
 ---rll call---                               1.75530004501343     
 ---rll call---                               1.75800001621246     
 ---rll call---                               1.75479996204376     
 ---rll call---                               1.77600002288818     
 ---rll call---                               2.00690007209778     
 ---rll call---                               1.79649996757507     
 ---rll call---                               1.45519995689392     
 ---rll call---                               1.47039997577667     
 ---rll call---                               1.47749996185303     
 gref->gmat                                  0.164100006222725     
 ---rll call---                               1.79369997978210     
 ---rll call---                               1.48290002346039     
 ---rll call---                               1.48710000514984     
 ---rll call---                               1.43050003051758     
 gonsite->density                             16.7910995483398     
 MPI comm : charge density                   0.165900006890297     
 energyloop                                   212.244995117188     
 energy loop                                  212.286407470703     
 time after energy loop                       1.13209998607635     
 Iteration number 016                         213.418594360352     
 ---rll call---                               2.07570004463196     
 ---rll call---                               2.08139991760254     
 ---rll call---                               2.11319994926453     
 ---rll call---                               2.12750005722046     
 ---rll call---                               1.72140002250671     
 ---rll call---                               1.73580002784729     
 ---rll call---                               1.73059999942780     
 ---rll call---                               2.02749991416931     
 ---rll call---                               2.16009998321533     
 ---rll call---                               2.14750003814697     
 ---rll call---                               2.15009999275208     
 ---rll call---                               2.08899998664856     
 ---rll call---                               2.14829993247986     
 ---rll call---                               2.16059994697571     
 ---rll call---                               2.15750002861023     
 ---rll call---                               2.15179991722107     
 ---rll call---                               2.14299988746643     
 ---rll call---                               2.14330005645752     
 ---rll call---                               2.17239999771118     
 ---rll call---                               2.15879988670349     
 ---rll call---                               2.23379993438721     
 ---rll call---                               2.03500008583069     
 ---rll call---                               1.89639997482300     
 ---rll call---                               1.79980003833771     
 gref->gmat                                  0.186499997973442     
 ---rll call---                               2.15429997444153     
 ---rll call---                               1.78100001811981     
 ---rll call---                               1.77230000495911     
 ---rll call---                               1.76180005073547     
 gonsite->density                             21.0729007720947     
 ---rll call---                               1.76010000705719     
 ---rll call---                               1.79359996318817     
 ---rll call---                               1.79410004615784     
 ---rll call---                               1.79229998588562     
 ---rll call---                               1.44210004806519     
 ---rll call---                               1.45280003547668     
 ---rll call---                               1.45109999179840     
 ---rll call---                               1.71060001850128     
 ---rll call---                               1.77160000801086     
 ---rll call---                               1.80270004272461     
 ---rll call---                               1.86960005760193     
 ---rll call---                               1.79219996929169     
 ---rll call---                               1.76660001277924     
 ---rll call---                               1.77390003204346     
 ---rll call---                               1.78340005874634     
 ---rll call---                               1.77320003509521     
 ---rll call---                               1.78170001506805     
 ---rll call---                               1.77149999141693     
 ---rll call---                               1.78100001811981     
 ---rll call---                               1.77919995784760     
 ---rll call---                               1.78760004043579     
 ---rll call---                               1.48899996280670     
 ---rll call---                               1.48059999942780     
 ---rll call---                               1.48179996013641     
 gref->gmat                                  0.164900004863739     
 ---rll call---                               1.79760003089905     
 ---rll call---                               1.48679995536804     
 ---rll call---                               1.48889994621277     
 ---rll call---                               1.50559997558594     
 gonsite->density                             17.0471000671387     
 MPI comm : charge density                   0.164800003170967     
 energyloop                                   213.406097412109     
 energy loop                                  213.438201904297     
 time after energy loop                       1.12999999523163     
 Iteration number 017                         214.568603515625     
 ---rll call---                               2.08080005645752     
 ---rll call---                               2.07909989356995     
 ---rll call---                               2.10409998893738     
 ---rll call---                               2.12339997291565     
 ---rll call---                               1.72720003128052     
 ---rll call---                               1.74629998207092     
 ---rll call---                               1.74230003356934     
 ---rll call---                               1.90390002727509     
 ---rll call---                               2.14580011367798     
 ---rll call---                               2.16020011901855     
 ---rll call---                               2.18179988861084     
 ---rll call---                               2.10369992256165     
 ---rll call---                               2.15350008010864     
 ---rll call---                               2.46280002593994     
 ---rll call---                               2.13689994812012     
 ---rll call---                               2.12820005416870     
 ---rll call---                               2.14000010490417     
 ---rll call---                               2.35739994049072     
 ---rll call---                               2.26430010795593     
 ---rll call---                               2.15529990196228     
 ---rll call---                               2.14939999580383     
 ---rll call---                               1.77559995651245     
 ---rll call---                               1.77960002422333     
 ---rll call---                               1.78269994258881     
 gref->gmat                                  0.185200005769730     
 ---rll call---                               2.15359997749329     
 ---rll call---                               1.77020001411438     
 ---rll call---                               1.77900004386902     
 ---rll call---                               1.80120003223419     
 gonsite->density                             21.4361000061035     
 ---rll call---                               1.95299994945526     
 ---rll call---                               1.79980003833771     
 ---rll call---                               1.79970002174377     
 ---rll call---                               1.79190003871918     
 ---rll call---                               1.44649994373322     
 ---rll call---                               1.45210003852844     
 ---rll call---                               1.45200002193451     
 ---rll call---                               1.62360000610352     
 ---rll call---                               1.78489995002747     
 ---rll call---                               1.78149998188019     
 ---rll call---                               1.79470002651215     
 ---rll call---                               1.80130004882812     
 ---rll call---                               1.75730001926422     
 ---rll call---                               1.79760003089905     
 ---rll call---                               1.79009997844696     
 ---rll call---                               1.78320002555847     
 ---rll call---                               1.81690001487732     
 ---rll call---                               1.80030000209808     
 ---rll call---                               1.79739999771118     
 ---rll call---                               1.79849994182587     
 ---rll call---                               1.79120004177094     
 ---rll call---                               1.48450005054474     
 ---rll call---                               1.48230004310608     
 ---rll call---                               1.47959995269775     
 gref->gmat                                  0.164199993014336     
 ---rll call---                               1.80040001869202     
 ---rll call---                               1.61769998073578     
 ---rll call---                               1.48930001258850     
 ---rll call---                               1.41429996490479     
 gonsite->density                             16.9834995269775     
 MPI comm : charge density                   0.164399996399879     
 energyloop                                   212.535903930664     
 energy loop                                  212.576400756836     
 time after energy loop                       1.13170003890991     
 Iteration number 018                         213.708099365234     
 ---rll call---                               2.09470009803772     
 ---rll call---                               2.08279991149902     
 ---rll call---                               2.09260010719299     
 ---rll call---                               2.11700010299683     
 ---rll call---                               1.71050000190735     
 ---rll call---                               1.90919995307922     
 ---rll call---                               1.71609997749329     
 ---rll call---                               1.89310002326965     
 ---rll call---                               2.13709998130798     
 ---rll call---                               2.15100002288818     
 ---rll call---                               2.13919997215271     
 ---rll call---                               2.05719995498657     
 ---rll call---                               2.14660000801086     
 ---rll call---                               2.14520001411438     
 ---rll call---                               2.17039990425110     
 ---rll call---                               2.14499998092651     
 ---rll call---                               2.14140009880066     
 ---rll call---                               2.15820002555847     
 ---rll call---                               2.16009998321533     
 ---rll call---                               2.31019997596741     
 ---rll call---                               2.15109992027283     
 ---rll call---                               1.77610003948212     
 ---rll call---                               1.77760004997253     
 ---rll call---                               1.77960002422333     
 gref->gmat                                  0.185200005769730     
 ---rll call---                               2.15520000457764     
 ---rll call---                               1.75730001926422     
 ---rll call---                               1.76859998703003     
 ---rll call---                               1.76629996299744     
 gonsite->density                             21.1054000854492     
 ---rll call---                               1.79050004482269     
 ---rll call---                               1.80999994277954     
 ---rll call---                               1.79980003833771     
 ---rll call---                               1.90209996700287     
 ---rll call---                               1.46780002117157     
 ---rll call---                               1.45070004463196     
 ---rll call---                               1.45420002937317     
 ---rll call---                               1.83159995079041     
 ---rll call---                               1.81270003318787     
 ---rll call---                               1.80350005626678     
 ---rll call---                               1.78810000419617     
 ---rll call---                               1.79709994792938     
 ---rll call---                               1.78040003776550     
 ---rll call---                               1.79789996147156     
 ---rll call---                               1.79770004749298     
 ---rll call---                               1.78989994525909     
 ---rll call---                               1.89479994773865     
 ---rll call---                               1.79770004749298     
 ---rll call---                               1.78820002079010     
 ---rll call---                               1.79270005226135     
 ---rll call---                               1.78610002994537     
 ---rll call---                               1.49129998683929     
 ---rll call---                               1.50020003318787     
 ---rll call---                               1.70290005207062     
 gref->gmat                                  0.167699992656708     
 ---rll call---                               1.81040000915527     
 ---rll call---                               1.49460005760193     
 ---rll call---                               1.49090003967285     
 ---rll call---                               1.40789997577667     
 gonsite->density                             16.9820003509521     
 MPI comm : charge density                   0.165099993348122     
 energyloop                                   214.640304565430     
 energy loop                                  214.681503295898     
 time after energy loop                       1.12829995155334     
 Iteration number 019                         215.809799194336     
 Total running time                           4076.80957031250     
