X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FREMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;fp=examples%2Funres%2FREMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;h=4b77e5106d8797e39325f6626567bed5007150ae;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 new file mode 100644 index 0000000..4b77e51 --- /dev/null +++ b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -0,0 +1,3282 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1L2Y_REMD.inp + Output file : 1L2Y_REMD.out_GB000 + + Sidechain potential file : + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k + SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm + Electrostatic potential file : + /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat + Bond & inertia constant file : /users/pk376/unres-git/unres/PARAM/bond.parm + Bending parameter file : + /users/pk376/unres-git/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/pk376/unres-git/unres/PARAM/scgauss.parm + Threading database : + /users/pk376/unres-git/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 03/28/12 23:29 by czarek + ++++ Compile info ++++ + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI + ++++ End of compile info ++++ + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed(4)= 0 0 -46 + -45086 + ran_num 6.422640197456531E-013 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 2 +Library routine used to diagonalize matrices. + +=========================== Parameters of the MD run =========================== + +The units are: +positions: angstrom, time: 48.9 fs +velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2 +energy: kcal/mol, temperature: K + + Number of time steps: 1000000 + Initial time step of numerical integration: 0.20000 natural units + 9.78000 fs +A-MTS algorithm used; initial time step for fast-varying short-range forces split into 1 steps. +Short-range force cutoff 2.00 lambda 0.30 +Maximum acceleration threshold to reduce the time step/increase split number: 10.00000 +Maximum predicted energy drift to reduce the timestep/increase split number: 10.00000 + Maximum velocity threshold to reduce velocities: 20.00000 + Frequency of property output: 10000 + Frequency of coordinate output: 10000 + +Langevin dynamics calculation with direct integration of Langevin equations + + Temperature: 300.00000 + Viscosity of the solvent: 0.89040 + Radius of solvent molecule: 1.40000 + Scaling factor of the friction forces: 0.02000 + Eta of the solvent in natural units: 49.27846 + +Radii of site types and friction coefficients and std's of stochastic forces of fully exposed sites + + p 5.00 6.30764 6.13033 + CYS 5.00 6.30764 6.13033 + MET 6.20 7.49033 6.68037 + PHE 6.80 8.08167 6.93906 + ILE 6.20 7.49033 6.68037 + LEU 6.30 7.58888 6.72418 + VAL 5.80 7.09610 6.50220 + TRP 7.20 8.47589 7.10629 + TYR 6.90 8.18022 6.98124 + ALA 4.60 5.91342 5.93567 + GLY 3.80 5.12496 5.52580 + THR 5.60 6.89898 6.41125 + SER 4.80 6.11053 6.03378 + GLN 6.10 7.39177 6.63628 + ASN 5.70 6.99754 6.45688 + GLU 6.10 7.39177 6.63628 + ASP 5.60 6.89898 6.41125 + HIS 6.20 7.49033 6.68037 + ARG 6.80 8.08167 6.93906 + LYS 6.30 7.58888 6.72418 + PRO 5.60 6.89898 6.41125 + +============================== End of MD run setup ============================= + + REMD setup + NREP= 16 + NSTEX= 100000 + SYNC= T + NSYN= 100000 + TRAJCACHE= 1 + tlist 250.000000000000 260.000000000000 270.000000000000 + 280.000000000000 290.000000000000 300.000000000000 + 310.000000000000 320.000000000000 330.000000000000 + 340.000000000000 350.000000000000 360.000000000000 + 370.000000000000 380.000000000000 390.000000000000 + 400.000000000000 + mlist 1 1 1 1 1 1 + 1 1 1 1 1 1 + 1 1 1 1 + Total number of replicas 16 + +============================== End of REMD run setup ============================= + + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 +PDB data will be read from file ../../../1L2Y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.407 3.153 -2.437 + 3 5 LEU -4.923 4.002 -2.452 -4.618 6.091 -1.850 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.484 -0.369 1.074 + 6 13 GLN -4.122 -1.167 -2.743 -5.089 -1.450 -4.853 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.244 -2.097 3.799 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Contact order: 0.308441558441558 + Shifting contacts: 2 2 + 1 ILE 5 ASN 2 + 2 TRP 7 TYR 4 + 3 LEU 8 TYR 4 + 4 LEU 8 ILE 5 + 5 LYS 9 GLN 6 + 6 GLY 12 TRP 7 + 7 GLY 12 LEU 8 + 8 SER 14 GLY 11 + 9 SER 15 ASP 10 + 10 SER 15 GLY 11 + 11 PRO 19 TRP 7 + 12 PRO 20 LEU 3 + 13 PRO 20 TYR 4 + 14 PRO 20 TRP 7 +Extended chain initial geometry. + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000 +LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000 +TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000 +ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000 +GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000 +TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 +LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 +LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 +ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 +GLY 11 3.800 90.000 180.000 0.000 110.000 -120.000 +GLY 12 3.800 90.000 180.000 0.000 110.000 -120.000 +PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 +SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 +SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 +GLY 16 3.800 90.000 180.000 0.000 110.000 -120.000 +ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 +PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 +PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 +PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 +SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 +D 22 3.800 90.000 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +Replica exchange molecular dynamics (REMD) calculation. + +******************************************************************************** + + Calling chainbuild + Calling REMD + MREMD 8 time before 4.687500000000000E-002 + NREP= 16 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 + i,j,il,il1,i_index(i,j,il,il1) +ifirst 1 + nupa 1: 2 +ndowna 1: + nupa 2: 3 +ndowna 2: 1 + nupa 3: 4 +ndowna 3: 2 + nupa 4: 5 +ndowna 4: 3 + nupa 5: 6 +ndowna 5: 4 + nupa 6: 7 +ndowna 6: 5 + nupa 7: 8 +ndowna 7: 6 + nupa 8: 9 +ndowna 8: 7 + REMD Temperature: 250.00000 +====================MD calculation start==================== + Initial velocities randomly generated + Initial velocities + 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000 + 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 + 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619 + 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528 + 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991 + 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426 + 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072 + 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136 + 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398 + 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194 + 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819 + 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000 + 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000 + 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181 + 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927 + 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988 + 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000 + 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353 + 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480 + 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718 + 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591 + 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044 + 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 + Calling the zero-angular momentum subroutine + vcm right after adjustment: + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 + + + alpha-carbon coordinates centroid coordinates + X Y Z X Y Z +D ( 1) 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +ASN( 2) 3.80000 0.00000 0.00000 3.64779 0.96674 1.37044 +LEU( 3) 3.80000 -3.80000 0.00000 2.68687 -3.62474 -1.57795 +TYR( 4) 7.60000 -3.80000 0.00000 7.37548 -2.37399 2.02147 +ILE( 5) 7.60000 -7.60000 0.00000 6.58044 -7.43947 -1.44530 +GLN( 6) 11.40000 -7.60000 0.00000 11.19753 -6.31407 1.82291 +TRP( 7) 11.40000 -11.40000 0.00000 9.90453 -11.16454 -2.11994 +LEU( 8) 15.20000 -11.40000 0.00000 15.02474 -10.28687 1.57795 +LYS( 9) 15.20000 -15.20000 0.00000 13.74127 -14.97033 -2.06786 +ASP( 10) 19.00000 -15.20000 0.00000 18.84553 -14.21890 1.39078 +GLY( 11) 19.00000 -19.00000 0.00000 19.00000 -19.00000 0.00000 +GLY( 12) 22.80000 -19.00000 0.00000 22.80000 -19.00000 0.00000 +PRO( 13) 22.80000 -22.80000 0.00000 22.02787 -22.67843 -1.09456 +SER( 14) 26.60000 -22.80000 0.00000 26.49606 -22.13981 0.93587 +SER( 15) 26.60000 -26.60000 0.00000 25.93981 -26.49606 -0.93587 +GLY( 16) 30.40000 -26.60000 0.00000 30.40000 -26.60000 0.00000 +ARG( 17) 30.40000 -30.40000 0.00000 28.66629 -30.12703 -2.45767 +PRO( 18) 34.20000 -30.40000 0.00000 34.07843 -29.62787 1.09456 +PRO( 19) 34.20000 -34.20000 0.00000 33.42787 -34.07843 -1.09456 +PRO( 20) 38.00000 -34.20000 0.00000 37.87843 -33.42787 1.09456 +SER( 21) 38.00000 -38.00000 0.00000 37.33981 -37.89606 -0.93587 +D ( 22) 41.80000 -38.00000 0.00000 41.80000 -38.00000 0.00000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 110.000 -120.000 +LEU 3 3.800 90.000 0.000 1.939 110.000 -120.000 +TYR 4 3.800 90.000 180.000 2.484 110.000 -120.000 +ILE 5 3.800 90.000 180.000 1.776 110.000 -120.000 +GLN 6 3.800 90.000 180.000 2.240 110.000 -120.000 +TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 +LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 +LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 +ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 +PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 +SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 +SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 +ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 +PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 +PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 +PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 +SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 + Potential energy and its components + +Virtual-chain energies: + +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +ETOT= 2.264125E+01 (total) + +Initial: + Kinetic energy 2.63515E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 + + maximum acceleration 9.59318E-01 + + Setup time 6.250000000000000E-002 + acceleration/energy drift too large 5.63918106737272 + 35.3571855162741 split increased to 2 itime 1028 + itsplit 1 + acceleration/energy drift too large 10.8729823992228 + 52.3145846329672 split increased to 2 itime 1056 + itsplit 1 + acceleration/energy drift too large 3.28536102197664 + 11.7411501261499 split increased to 2 itime 1284 + itsplit 1 + acceleration/energy drift too large 5.14796605170366 + 25.5944222483776 split increased to 2 itime 1464 + itsplit 1 + acceleration/energy drift too large 4.30555535081426 + 12.0515261611403 split increased to 2 itime 1613 + itsplit 1 + acceleration/energy drift too large 5.94717809136189 + 10.3896136034960 split increased to 2 itime 1652 + itsplit 1 + acceleration/energy drift too large 10.2204359471954 + 24.1891695096049 split increased to 2 itime 1662 + itsplit 1 + acceleration/energy drift too large 2.44352174824906 + 15.1453549172462 split increased to 2 itime 1880 + itsplit 1 + acceleration/energy drift too large 4.70471505415219 + 14.3697900658259 split increased to 2 itime 2169 + itsplit 1 + acceleration/energy drift too large 2.36696298044121 + 11.5481023464904 split increased to 2 itime 2988 + itsplit 1 + acceleration/energy drift too large 3.11001725079099 + 11.6433912909899 split increased to 2 itime 2989 + itsplit 1 + acceleration/energy drift too large 3.63283289763953 + 13.5411725430095 split increased to 2 itime 3193 + itsplit 1 + acceleration/energy drift too large 4.47921557608526 + 11.9938670711319 split increased to 2 itime 3425 + itsplit 1 + acceleration/energy drift too large 8.91525490425866 + 42.6973845999645 split increased to 2 itime 3662 + itsplit 1 + acceleration/energy drift too large 7.05435429203365 + 19.2288496136548 split increased to 2 itime 3663 + itsplit 1 + acceleration/energy drift too large 4.68246766404941 + 25.4676990523523 split increased to 2 itime 3937 + itsplit 1 + acceleration/energy drift too large 4.49544109901394 + 28.2205277759573 split increased to 2 itime 4350 + itsplit 1 + acceleration/energy drift too large 3.84092228572669 + 19.3324496146227 split increased to 2 itime 4951 + itsplit 1 + acceleration/energy drift too large 4.64153203464570 + 10.1801404441808 split increased to 2 itime 6769 + itsplit 1 + acceleration/energy drift too large 5.07796478963469 + 13.2741701023061 split increased to 2 itime 6931 + itsplit 1 + acceleration/energy drift too large 4.18814303625074 + 27.1119625402691 split increased to 2 itime 7842 + itsplit 1 + acceleration/energy drift too large 3.39169805531536 + 10.3324838871765 split increased to 2 itime 8797 + itsplit 1 + acceleration/energy drift too large 3.50043607321272 + 25.7966304934517 split increased to 2 itime 9616 + itsplit 1 + acceleration/energy drift too large 2.62285471235274 + 11.8319450262330 split increased to 2 itime 10764 + itsplit 1 + acceleration/energy drift too large 2.16115195113438 + 11.0979197640116 split increased to 2 itime 11010 + itsplit 1 + acceleration/energy drift too large 3.07932134835063 + 22.8366668952950 split increased to 2 itime 11241 + itsplit 1 + acceleration/energy drift too large 6.89071594777647 + 16.6274454383628 split increased to 2 itime 13539 + itsplit 1 + acceleration/energy drift too large 8.04340932794725 + 21.3639306285702 split increased to 2 itime 14319 + itsplit 1 + acceleration/energy drift too large 13.4467048311970 + 70.5032897793779 split increased to 2 itime 14346 + itsplit 1 + acceleration/energy drift too large 3.85144891410892 + 22.4563961669407 split increased to 2 itime 14390 + itsplit 1 + acceleration/energy drift too large 5.49359064817051 + 18.3214897780854 split increased to 2 itime 14701 + itsplit 1 + acceleration/energy drift too large 2.63347046167346 + 10.8011272807313 split increased to 2 itime 16123 + itsplit 1 + acceleration/energy drift too large 2.37252164101140 + 10.0208029603040 split increased to 2 itime 16148 + itsplit 1 + acceleration/energy drift too large 6.81894093676270 + 25.1133974477313 split increased to 2 itime 16666 + itsplit 1 + acceleration/energy drift too large 5.02639672515953 + 38.5450806123208 split increased to 2 itime 16957 + itsplit 1 + acceleration/energy drift too large 3.29230213990233 + 12.8682786761299 split increased to 2 itime 18553 + itsplit 1 + acceleration/energy drift too large 5.58321685105274 + 13.0721496773453 split increased to 2 itime 19557 + itsplit 1 + acceleration/energy drift too large 11.4141101491608 + 57.3686331453835 split increased to 2 itime 19636 + itsplit 1 + acceleration/energy drift too large 2.72191053725797 + 13.3423503274378 split increased to 4 itime 19636 + itsplit 2 + acceleration/energy drift too large 3.43807708156927 + 12.8108481669393 split increased to 2 itime 20554 + itsplit 1 + acceleration/energy drift too large 4.01017110729673 + 11.6262771507421 split increased to 2 itime 21590 + itsplit 1 + acceleration/energy drift too large 3.15493106749717 + 19.3017873000702 split increased to 2 itime 21638 + itsplit 1 + acceleration/energy drift too large 4.99772490386704 + 13.0993452444689 split increased to 2 itime 22369 + itsplit 1 + acceleration/energy drift too large 3.75783880578601 + 10.2013700416861 split increased to 2 itime 22562 + itsplit 1 + acceleration/energy drift too large 4.80981678325877 + 11.9977359761756 split increased to 2 itime 24031 + itsplit 1 + acceleration/energy drift too large 2.47732674467058 + 10.8948782515287 split increased to 2 itime 24847 + itsplit 1 + acceleration/energy drift too large 13.4640950242825 + 125.047283850475 split increased to 2 itime 25440 + itsplit 1 + acceleration/energy drift too large 3.58314504573760 + 14.4500196135448 split increased to 4 itime 25440 + itsplit 1 + acceleration/energy drift too large 5.04824018885210 + 15.8361545775069 split increased to 2 itime 26725 + itsplit 1 + acceleration/energy drift too large 4.36035907773934 + 10.6716890009158 split increased to 2 itime 26866 + itsplit 1 + acceleration/energy drift too large 12.6663032769869 + 56.9234494407235 split increased to 2 itime 27001 + itsplit 1 + acceleration/energy drift too large 2.64325020681395 + 12.3491706106436 split increased to 4 itime 27001 + itsplit 1 + acceleration/energy drift too large 6.41512050094965 + 15.1041870349427 split increased to 2 itime 27035 + itsplit 1 + acceleration/energy drift too large 3.74516194471741 + 11.5017789098039 split increased to 2 itime 27125 + itsplit 1 + acceleration/energy drift too large 6.29261702853444 + 16.7293063203290 split increased to 2 itime 27647 + itsplit 1 + acceleration/energy drift too large 7.47098605918827 + 23.8508160077668 split increased to 2 itime 28803 + itsplit 1 + acceleration/energy drift too large 6.30271162717393 + 12.7628672754401 split increased to 2 itime 29991 + itsplit 1 + acceleration/energy drift too large 5.54986684291316 + 19.4528888820941 split increased to 2 itime 30047 + itsplit 1 + acceleration/energy drift too large 6.34572216646319 + 12.4653243392076 split increased to 2 itime 30049 + itsplit 1 + acceleration/energy drift too large 5.55482687422360 + 13.6199842088656 split increased to 2 itime 30057 + itsplit 1 + acceleration/energy drift too large 6.95060901150181 + 13.6408588613389 split increased to 2 itime 30059 + itsplit 1 + acceleration/energy drift too large 5.73954928734024 + 12.1213607224673 split increased to 2 itime 30071 + itsplit 1 + acceleration/energy drift too large 2.84073418788950 + 10.1139425826687 split increased to 2 itime 30820 + itsplit 1 + acceleration/energy drift too large 5.86409442748216 + 22.6716503125443 split increased to 2 itime 31189 + itsplit 1 + acceleration/energy drift too large 10.9541895939377 + 51.8985245073042 split increased to 2 itime 31530 + itsplit 1 + acceleration/energy drift too large 2.59770862061949 + 11.8706998198693 split increased to 4 itime 31530 + itsplit 2 + acceleration/energy drift too large 4.22864557277935 + 21.7239295763887 split increased to 2 itime 32547 + itsplit 1 + acceleration/energy drift too large 13.8438279263302 + 106.191166832147 split increased to 2 itime 32909 + itsplit 1 + acceleration/energy drift too large 6.54942310822148 + 23.0654746132271 split increased to 2 itime 33631 + itsplit 1 + acceleration/energy drift too large 12.1939973661612 + 87.6826735717594 split increased to 2 itime 33635 + itsplit 1 + acceleration/energy drift too large 7.27570857673955 + 23.2112289421643 split increased to 2 itime 33962 + itsplit 1 + acceleration/energy drift too large 3.85553746116164 + 15.4451093356813 split increased to 2 itime 34184 + itsplit 1 + acceleration/energy drift too large 4.14576824322283 + 13.4350031698828 split increased to 2 itime 34201 + itsplit 1 + acceleration/energy drift too large 6.93816987403713 + 15.0855934532604 split increased to 2 itime 34363 + itsplit 1 + acceleration/energy drift too large 4.47954255680826 + 17.4722735906525 split increased to 2 itime 34530 + itsplit 1 + acceleration/energy drift too large 1.44179325647977 + 12.9249136682216 split increased to 4 itime 34530 + itsplit 1 + acceleration/energy drift too large 2.62285837341333 + 15.0000428149156 split increased to 2 itime 34606 + itsplit 1 + acceleration/energy drift too large 5.61369312635986 + 17.7320034406705 split increased to 2 itime 34671 + itsplit 1 + acceleration/energy drift too large 3.76717711157113 + 13.3052357716413 split increased to 2 itime 35409 + itsplit 1 + acceleration/energy drift too large 4.48808286292798 + 12.2726670400669 split increased to 2 itime 35686 + itsplit 1 + acceleration/energy drift too large 5.93308215003441 + 15.6469473964777 split increased to 2 itime 35841 + itsplit 1 + acceleration/energy drift too large 5.33636814429521 + 12.9138167925720 split increased to 2 itime 37165 + itsplit 1 + acceleration/energy drift too large 2.72290810352853 + 10.7189912450791 split increased to 2 itime 37876 + itsplit 1 + acceleration/energy drift too large 7.14868437520244 + 29.3379921896970 split increased to 2 itime 38499 + itsplit 1 + acceleration/energy drift too large 4.59020477605162 + 23.8834530863281 split increased to 2 itime 39032 + itsplit 1 + acceleration/energy drift too large 5.99735856564086 + 16.7413538069089 split increased to 2 itime 39105 + itsplit 1 + acceleration/energy drift too large 5.34150761973903 + 13.6252361360669 split increased to 2 itime 39266 + itsplit 1 + acceleration/energy drift too large 6.17660191694107 + 15.6196409080652 split increased to 2 itime 39670 + itsplit 1 + acceleration/energy drift too large 9.06174203657497 + 29.5191425043196 split increased to 2 itime 39952 + itsplit 1 + acceleration/energy drift too large 2.41321173108030 + 12.2013160755494 split increased to 2 itime 40171 + itsplit 1 + acceleration/energy drift too large 5.39337308151622 + 19.4706537380226 split increased to 2 itime 40295 + itsplit 1 + acceleration/energy drift too large 4.56774578611308 + 15.4860881951383 split increased to 2 itime 40618 + itsplit 1 + acceleration/energy drift too large 2.95868181634345 + 11.1487862718852 split increased to 2 itime 42247 + itsplit 1 + acceleration/energy drift too large 4.69495367211433 + 12.9812938213575 split increased to 2 itime 42314 + itsplit 1 + acceleration/energy drift too large 11.0980476650334 + 45.8866926444603 split increased to 2 itime 42924 + itsplit 1 + acceleration/energy drift too large 6.85293779517124 + 30.2115658818096 split increased to 2 itime 42959 + itsplit 1 + acceleration/energy drift too large 5.57286922741466 + 18.8623681561010 split increased to 2 itime 42992 + itsplit 1 + acceleration/energy drift too large 7.90781967798329 + 23.1367757227237 split increased to 2 itime 43128 + itsplit 1 + acceleration/energy drift too large 4.34196457651407 + 12.9784414641500 split increased to 2 itime 43332 + itsplit 1 + acceleration/energy drift too large 4.77705582667231 + 13.9256602698986 split increased to 2 itime 43333 + itsplit 1 + acceleration/energy drift too large 9.21726196517588 + 20.4160826997983 split increased to 2 itime 43350 + itsplit 1 + acceleration/energy drift too large 3.64701890979240 + 10.4384760773738 split increased to 2 itime 43707 + itsplit 1 + acceleration/energy drift too large 4.55666857674334 + 23.9126897432624 split increased to 2 itime 46091 + itsplit 1 + acceleration/energy drift too large 8.17219825739599 + 20.5859229021717 split increased to 2 itime 47798 + itsplit 1 + acceleration/energy drift too large 4.70691925484453 + 27.4918862013750 split increased to 2 itime 48601 + itsplit 1 + acceleration/energy drift too large 6.81664441642112 + 36.6802050022921 split increased to 2 itime 48846 + itsplit 1 + acceleration/energy drift too large 4.50855971749213 + 17.8670925252033 split increased to 2 itime 51410 + itsplit 1 + acceleration/energy drift too large 8.63002241735634 + 26.6137085188155 split increased to 2 itime 51421 + itsplit 1 + acceleration/energy drift too large 3.93485080699537 + 11.3177827069448 split increased to 2 itime 53340 + itsplit 1 + acceleration/energy drift too large 2.71319576501072 + 12.6841154182645 split increased to 2 itime 57655 + itsplit 1 + acceleration/energy drift too large 3.28866921197398 + 11.1219189501471 split increased to 2 itime 57715 + itsplit 1 + acceleration/energy drift too large 5.15915432944909 + 35.5962403316739 split increased to 2 itime 59198 + itsplit 1 + acceleration/energy drift too large 10.6814875042828 + 52.8372656768800 split increased to 2 itime 59318 + itsplit 1 + acceleration/energy drift too large 2.51286079612546 + 10.2505226181714 split increased to 2 itime 59458 + itsplit 1 + acceleration/energy drift too large 5.41425056152957 + 29.5141317587388 split increased to 2 itime 62029 + itsplit 1 + acceleration/energy drift too large 6.05550280158633 + 19.4682803761979 split increased to 2 itime 62759 + itsplit 1 + acceleration/energy drift too large 6.24107069025594 + 17.7800627311053 split increased to 2 itime 62813 + itsplit 1 + acceleration/energy drift too large 4.32323973696410 + 19.8338093099893 split increased to 2 itime 63177 + itsplit 1 + acceleration/energy drift too large 4.65611730036295 + 15.1899104880647 split increased to 2 itime 63255 + itsplit 1 + acceleration/energy drift too large 4.16036111525709 + 10.0593067222064 split increased to 2 itime 63345 + itsplit 1 + acceleration/energy drift too large 3.92377906931795 + 16.8028456812701 split increased to 2 itime 63604 + itsplit 1 + acceleration/energy drift too large 3.59861297460561 + 14.4455235613579 split increased to 2 itime 64243 + itsplit 1 + acceleration/energy drift too large 10.9714370554461 + 56.5535712014564 split increased to 2 itime 66516 + itsplit 1 + acceleration/energy drift too large 5.75575214717111 + 44.1111013285694 split increased to 2 itime 66643 + itsplit 1 + acceleration/energy drift too large 2.50435027381742 + 12.4430168550362 split increased to 2 itime 67499 + itsplit 1 + acceleration/energy drift too large 2.35510498491204 + 11.3573144733410 split increased to 2 itime 67505 + itsplit 1 + acceleration/energy drift too large 1.51165152562169 + 16.1140123672560 split increased to 2 itime 67511 + itsplit 1 + acceleration/energy drift too large 2.49498014480323 + 16.2130129792738 split increased to 2 itime 67512 + itsplit 1 + acceleration/energy drift too large 3.53301627510174 + 12.5746657697493 split increased to 2 itime 67517 + itsplit 1 + acceleration/energy drift too large 3.64623424471759 + 13.9642963252277 split increased to 2 itime 67518 + itsplit 1 + acceleration/energy drift too large 3.45300103930126 + 10.0487847960034 split increased to 2 itime 67536 + itsplit 1 + acceleration/energy drift too large 2.47923980385616 + 10.4751211942108 split increased to 2 itime 67544 + itsplit 1 + acceleration/energy drift too large 3.40846390087046 + 10.4498025328995 split increased to 2 itime 67563 + itsplit 1 + acceleration/energy drift too large 2.57824520705121 + 10.2401601280585 split increased to 2 itime 67580 + itsplit 1 + acceleration/energy drift too large 5.01542852702226 + 15.4465033628673 split increased to 2 itime 69045 + itsplit 1 + acceleration/energy drift too large 2.52533898833681 + 11.1005865518530 split increased to 2 itime 70062 + itsplit 1 + acceleration/energy drift too large 9.46367102227206 + 46.3169642997431 split increased to 2 itime 72929 + itsplit 1 + acceleration/energy drift too large 4.95466213715214 + 11.8827108164148 split increased to 2 itime 75654 + itsplit 1 + acceleration/energy drift too large 11.3679575707500 + 67.6497354532070 split increased to 2 itime 76885 + itsplit 1 + acceleration/energy drift too large 3.50123416185582 + 25.0787056487061 split increased to 2 itime 77287 + itsplit 1 + acceleration/energy drift too large 9.38358974867411 + 42.6767849838563 split increased to 2 itime 77820 + itsplit 1 + acceleration/energy drift too large 10.1711740543284 + 53.7029902053756 split increased to 2 itime 79424 + itsplit 1 + acceleration/energy drift too large 11.1468755220041 + 54.4699277459658 split increased to 2 itime 81516 + itsplit 1 + acceleration/energy drift too large 4.26880124333891 + 10.0568772608864 split increased to 2 itime 81705 + itsplit 1 + acceleration/energy drift too large 8.57374541507521 + 34.6310067028717 split increased to 2 itime 84173 + itsplit 1 + acceleration/energy drift too large 3.56623106209922 + 12.7238221412873 split increased to 2 itime 84174 + itsplit 1 + acceleration/energy drift too large 1.98675147240097 + 10.3737256929119 split increased to 2 itime 84451 + itsplit 1 + acceleration/energy drift too large 5.26834183662620 + 20.6490486506715 split increased to 2 itime 85129 + itsplit 1 + acceleration/energy drift too large 6.16788937233679 + 12.5998581957218 split increased to 2 itime 86521 + itsplit 1 + acceleration/energy drift too large 6.18650133326859 + 16.8845373890066 split increased to 2 itime 86780 + itsplit 1 + acceleration/energy drift too large 7.34963479807984 + 23.8618488636752 split increased to 2 itime 86958 + itsplit 1 + acceleration/energy drift too large 3.60805286127260 + 26.8650924619129 split increased to 2 itime 92565 + itsplit 1 + acceleration/energy drift too large 4.63616507396913 + 18.1218734268102 split increased to 2 itime 92923 + itsplit 1 + acceleration/energy drift too large 3.20459046543764 + 11.3620149147213 split increased to 2 itime 94519 + itsplit 1 + acceleration/energy drift too large 4.59839148274791 + 10.5289471371568 split increased to 2 itime 94927 + itsplit 1 + acceleration/energy drift too large 3.88452616887577 + 11.4717662571804 split increased to 2 itime 94954 + itsplit 1 + acceleration/energy drift too large 4.81436846918973 + 14.8589513153011 split increased to 2 itime 96747 + itsplit 1 + acceleration/energy drift too large 4.13296624004695 + 18.7294200832409 split increased to 2 itime 96803 + itsplit 1 + REMD synchro at 100000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 38.7382812500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.00000 1 +ACC 2 260.00000 1.00000 1 +ACC 3 270.00000 0.00000 1 +ACC 4 280.00000 0.00000 1 +ACC 5 290.00000 1.00000 1 +ACC 6 300.00000 1.00000 1 +ACC 7 310.00000 0.00000 1 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.13001505132709 + 10.1410210537227 split increased to 2 itime 103113 + itsplit 1 + acceleration/energy drift too large 7.42879841185036 + 25.6372952805707 split increased to 2 itime 104417 + itsplit 1 + acceleration/energy drift too large 7.64364978380072 + 24.9249302213754 split increased to 2 itime 104513 + itsplit 1 + acceleration/energy drift too large 5.47929822869888 + 10.6755074492465 split increased to 2 itime 112758 + itsplit 1 + acceleration/energy drift too large 2.59323537439544 + 17.4426821674308 split increased to 2 itime 114835 + itsplit 1 + acceleration/energy drift too large 7.77242588523110 + 24.8411685599676 split increased to 2 itime 117401 + itsplit 1 + acceleration/energy drift too large 7.24317506230297 + 20.4263142661891 split increased to 2 itime 118820 + itsplit 1 + acceleration/energy drift too large 4.44232627491974 + 11.9474910751349 split increased to 2 itime 121712 + itsplit 1 + acceleration/energy drift too large 12.2312904012305 + 69.8895282295434 split increased to 2 itime 122332 + itsplit 1 + acceleration/energy drift too large 2.68948716219164 + 13.1544607788688 split increased to 4 itime 122332 + itsplit 2 + acceleration/energy drift too large 5.26876723129406 + 13.3006676456201 split increased to 2 itime 124441 + itsplit 1 + acceleration/energy drift too large 12.7465853577546 + 63.6049470107854 split increased to 2 itime 126614 + itsplit 1 + acceleration/energy drift too large 5.57583553064118 + 12.7994856154252 split increased to 2 itime 127139 + itsplit 1 + acceleration/energy drift too large 6.49157597489070 + 19.6322090462846 split increased to 2 itime 127851 + itsplit 1 + acceleration/energy drift too large 5.25026781246343 + 12.8145055601479 split increased to 2 itime 131232 + itsplit 1 + acceleration/energy drift too large 5.66924627720541 + 13.7051795777903 split increased to 2 itime 132820 + itsplit 1 + acceleration/energy drift too large 9.30047742638298 + 42.8965056797306 split increased to 2 itime 134001 + itsplit 1 + acceleration/energy drift too large 6.40026454103283 + 23.6616223330386 split increased to 2 itime 134848 + itsplit 1 + acceleration/energy drift too large 9.97652144920852 + 66.6077377959504 split increased to 2 itime 135132 + itsplit 1 + acceleration/energy drift too large 6.18037926999215 + 20.7376975255477 split increased to 2 itime 135663 + itsplit 1 + acceleration/energy drift too large 2.36662237546351 + 12.0325046122621 split increased to 2 itime 135782 + itsplit 1 + acceleration/energy drift too large 6.04958147857810 + 12.5633021311993 split increased to 2 itime 136924 + itsplit 1 + acceleration/energy drift too large 2.72752027234537 + 10.0492616001534 split increased to 2 itime 137786 + itsplit 1 + acceleration/energy drift too large 3.19111068518775 + 10.1549536065718 split increased to 2 itime 137810 + itsplit 1 + acceleration/energy drift too large 1.89086592180078 + 10.5430451544192 split increased to 2 itime 137814 + itsplit 1 + acceleration/energy drift too large 4.12136106801102 + 20.6102857463946 split increased to 2 itime 137815 + itsplit 1 + acceleration/energy drift too large 4.87297197361513 + 19.6440491558279 split increased to 2 itime 137817 + itsplit 1 + acceleration/energy drift too large 2.52835526322204 + 10.5464053099332 split increased to 2 itime 137831 + itsplit 1 + acceleration/energy drift too large 3.19756769138033 + 11.1280935247013 split increased to 2 itime 137888 + itsplit 1 + acceleration/energy drift too large 3.99239830918571 + 10.1402887640562 split increased to 2 itime 138109 + itsplit 1 + acceleration/energy drift too large 2.85739413532363 + 10.8498840126343 split increased to 2 itime 138145 + itsplit 1 + acceleration/energy drift too large 3.01001304412240 + 10.0935357908378 split increased to 2 itime 138151 + itsplit 1 + acceleration/energy drift too large 8.40595196882248 + 35.2210040154239 split increased to 2 itime 138705 + itsplit 1 + acceleration/energy drift too large 9.45029521403067 + 51.6979762502821 split increased to 2 itime 139871 + itsplit 1 + acceleration/energy drift too large 11.3435110140437 + 63.6481517928780 split increased to 2 itime 140025 + itsplit 1 + acceleration/energy drift too large 6.46366366507642 + 29.0283242294279 split increased to 2 itime 140521 + itsplit 1 + acceleration/energy drift too large 2.61839128387524 + 11.2550018927665 split increased to 2 itime 140911 + itsplit 1 + acceleration/energy drift too large 7.23582151252076 + 30.2181175613490 split increased to 2 itime 142067 + itsplit 1 + acceleration/energy drift too large 10.8814118035559 + 58.1882935820638 split increased to 2 itime 142112 + itsplit 1 + acceleration/energy drift too large 2.21467060360381 + 10.3990522051491 split increased to 4 itime 142112 + itsplit 2 + acceleration/energy drift too large 4.83485506215526 + 17.9277544046312 split increased to 2 itime 144003 + itsplit 1 + acceleration/energy drift too large 2.52754955332185 + 13.2325347565532 split increased to 2 itime 144145 + itsplit 1 + acceleration/energy drift too large 3.87494119558397 + 12.1417911622164 split increased to 2 itime 145127 + itsplit 1 + acceleration/energy drift too large 3.87199279116245 + 10.0042527945579 split increased to 2 itime 146125 + itsplit 1 + acceleration/energy drift too large 5.39897037014481 + 11.3339401695928 split increased to 2 itime 146822 + itsplit 1 + acceleration/energy drift too large 7.42155988182577 + 25.7613524933781 split increased to 2 itime 147616 + itsplit 1 + acceleration/energy drift too large 2.80266149033803 + 10.9996493261778 split increased to 4 itime 147616 + itsplit 1 + acceleration/energy drift too large 7.58973261777039 + 22.3660152429657 split increased to 2 itime 148058 + itsplit 1 + acceleration/energy drift too large 5.17139547861276 + 19.9634552397798 split increased to 2 itime 148186 + itsplit 1 + acceleration/energy drift too large 4.54360168640624 + 11.0825897451494 split increased to 2 itime 148884 + itsplit 1 + acceleration/energy drift too large 4.71375943824704 + 10.5310501045105 split increased to 2 itime 153003 + itsplit 1 + acceleration/energy drift too large 9.65275342432152 + 34.1717595902119 split increased to 2 itime 156012 + itsplit 1 + acceleration/energy drift too large 4.90110384942492 + 11.6020983825840 split increased to 2 itime 156798 + itsplit 1 + acceleration/energy drift too large 5.36852467256297 + 10.3720766327615 split increased to 2 itime 158530 + itsplit 1 + acceleration/energy drift too large 7.40545830393637 + 14.6747676473396 split increased to 2 itime 160969 + itsplit 1 + acceleration/energy drift too large 9.12659927293890 + 30.6102764859729 split increased to 2 itime 163366 + itsplit 1 + acceleration/energy drift too large 2.77722694232665 + 10.1309552769653 split increased to 2 itime 163511 + itsplit 1 + acceleration/energy drift too large 9.50884608565895 + 42.9729137572448 split increased to 2 itime 163909 + itsplit 1 + acceleration/energy drift too large 6.65771366027596 + 19.8555530628809 split increased to 2 itime 164318 + itsplit 1 + acceleration/energy drift too large 5.96820989635850 + 19.2326239707547 split increased to 2 itime 165220 + itsplit 1 + acceleration/energy drift too large 3.67821602103221 + 17.7580861535272 split increased to 2 itime 167790 + itsplit 1 + acceleration/energy drift too large 2.35245705592491 + 14.8649115573439 split increased to 2 itime 171003 + itsplit 1 + acceleration/energy drift too large 3.24018786889419 + 10.9840237481048 split increased to 2 itime 171349 + itsplit 1 + acceleration/energy drift too large 7.00285639505922 + 23.2267720986572 split increased to 2 itime 173092 + itsplit 1 + acceleration/energy drift too large 3.10138324026833 + 19.6335899775080 split increased to 2 itime 174774 + itsplit 1 + acceleration/energy drift too large 5.48712030859221 + 12.1902891390279 split increased to 2 itime 177748 + itsplit 1 + acceleration/energy drift too large 7.39288081134376 + 25.0252962859053 split increased to 2 itime 178867 + itsplit 1 + acceleration/energy drift too large 14.2049630020930 + 82.4851005368670 split increased to 2 itime 179961 + itsplit 1 + acceleration/energy drift too large 12.4992230706220 + 68.9829023642656 split increased to 2 itime 181396 + itsplit 1 + acceleration/energy drift too large 8.21876582046392 + 22.4354633339393 split increased to 2 itime 182423 + itsplit 1 + acceleration/energy drift too large 4.55198593085840 + 12.4986998366427 split increased to 2 itime 182610 + itsplit 1 + acceleration/energy drift too large 1.98471593053076 + 10.5005773497063 split increased to 2 itime 183272 + itsplit 1 + acceleration/energy drift too large 1.84045052411735 + 10.6382039394232 split increased to 2 itime 183283 + itsplit 1 + acceleration/energy drift too large 4.29843197213379 + 11.2074223052897 split increased to 2 itime 183966 + itsplit 1 + acceleration/energy drift too large 5.39826905153061 + 14.5798751862008 split increased to 2 itime 186530 + itsplit 1 + acceleration/energy drift too large 2.87609480268576 + 11.8710428236899 split increased to 2 itime 186827 + itsplit 1 + acceleration/energy drift too large 7.47547233919371 + 24.0262906498115 split increased to 2 itime 188303 + itsplit 1 + acceleration/energy drift too large 10.2406420582556 + 52.5408665219639 split increased to 2 itime 190866 + itsplit 1 + acceleration/energy drift too large 8.41073242555718 + 32.3241599874662 split increased to 2 itime 191321 + itsplit 1 + acceleration/energy drift too large 2.38648582316814 + 13.2283650440058 split increased to 2 itime 191720 + itsplit 1 + acceleration/energy drift too large 3.99432484994876 + 10.6910181885213 split increased to 2 itime 195038 + itsplit 1 + acceleration/energy drift too large 6.45766060344522 + 11.1633127065760 split increased to 2 itime 195606 + itsplit 1 + acceleration/energy drift too large 5.82290105260023 + 20.4461866223593 split increased to 2 itime 196263 + itsplit 1 + acceleration/energy drift too large 9.71023984330179 + 42.9650712341454 split increased to 2 itime 198720 + itsplit 1 + acceleration/energy drift too large 10.1872791579988 + 52.6925621346871 split increased to 2 itime 199835 + itsplit 1 + REMD synchro at 200000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 78.4375000000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.00000 2 +ACC 2 260.00000 1.00000 2 +ACC 3 270.00000 0.50000 2 +ACC 4 280.00000 0.50000 2 +ACC 5 290.00000 0.50000 2 +ACC 6 300.00000 1.00000 2 +ACC 7 310.00000 0.50000 2 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 12.2084485626411 + 53.6108638583661 split increased to 2 itime 200051 + itsplit 1 + acceleration/energy drift too large 2.53810576881656 + 11.4808941276954 split increased to 4 itime 200051 + itsplit 2 + acceleration/energy drift too large 7.55872018123679 + 29.7927212748254 split increased to 2 itime 201009 + itsplit 1 + acceleration/energy drift too large 8.95224165869119 + 27.8983319151703 split increased to 2 itime 205406 + itsplit 1 + acceleration/energy drift too large 9.07098645266622 + 38.6032995124068 split increased to 2 itime 208750 + itsplit 1 + acceleration/energy drift too large 13.1754113330734 + 90.1809833178590 split increased to 2 itime 208775 + itsplit 1 + acceleration/energy drift too large 8.68604181889735 + 33.4372463370927 split increased to 2 itime 209150 + itsplit 1 + acceleration/energy drift too large 2.45260108494234 + 11.9763295654877 split increased to 2 itime 209568 + itsplit 1 + acceleration/energy drift too large 8.33655843070247 + 23.5659169703030 split increased to 2 itime 210592 + itsplit 1 + acceleration/energy drift too large 6.40284348209486 + 18.2833200959135 split increased to 2 itime 215211 + itsplit 1 + acceleration/energy drift too large 15.3435710635003 + 106.134828552885 split increased to 2 itime 215759 + itsplit 1 + acceleration/energy drift too large 7.72564258503192 + 29.2105405852435 split increased to 2 itime 216380 + itsplit 1 + acceleration/energy drift too large 8.03076727820753 + 33.8398247413509 split increased to 2 itime 217032 + itsplit 1 + acceleration/energy drift too large 1.79885122075765 + 14.6974936613242 split increased to 2 itime 217033 + itsplit 1 + acceleration/energy drift too large 3.42984444970851 + 25.4748699041339 split increased to 2 itime 217766 + itsplit 1 + acceleration/energy drift too large 9.92133896073913 + 46.1141390371501 split increased to 2 itime 220551 + itsplit 1 + acceleration/energy drift too large 3.86581732121221 + 12.6818810062393 split increased to 2 itime 225885 + itsplit 1 + acceleration/energy drift too large 4.75556207989291 + 23.7514322447296 split increased to 2 itime 229101 + itsplit 1 + acceleration/energy drift too large 5.96454573739078 + 15.1323178318082 split increased to 2 itime 230540 + itsplit 1 + acceleration/energy drift too large 3.42487620865555 + 10.3721888933533 split increased to 2 itime 231526 + itsplit 1 + acceleration/energy drift too large 3.98801109571964 + 16.1502365642523 split increased to 2 itime 232127 + itsplit 1 + acceleration/energy drift too large 7.08469640313974 + 23.1904142397815 split increased to 2 itime 234644 + itsplit 1 + acceleration/energy drift too large 4.93775003788783 + 26.3669011701329 split increased to 2 itime 238322 + itsplit 1 + acceleration/energy drift too large 2.86865279559611 + 11.8612338762924 split increased to 2 itime 238780 + itsplit 1 + acceleration/energy drift too large 14.9987157615550 + 96.2927253197508 split increased to 2 itime 242801 + itsplit 1 + acceleration/energy drift too large 11.1887830328447 + 52.7840892820987 split increased to 2 itime 244036 + itsplit 1 + acceleration/energy drift too large 2.17365828266367 + 19.5481246997944 split increased to 2 itime 246615 + itsplit 1 + acceleration/energy drift too large 1.74346672463242 + 10.2694527887976 split increased to 2 itime 246620 + itsplit 1 + acceleration/energy drift too large 13.6510241983959 + 84.0580108248525 split increased to 2 itime 249654 + itsplit 1 + acceleration/energy drift too large 4.66616138520528 + 15.2142327775412 split increased to 2 itime 250520 + itsplit 1 + acceleration/energy drift too large 6.99562401956982 + 22.8419897904330 split increased to 2 itime 251418 + itsplit 1 + acceleration/energy drift too large 3.99280691445085 + 28.2701787869753 split increased to 2 itime 254716 + itsplit 1 + acceleration/energy drift too large 2.38701850151646 + 10.4971632893545 split increased to 2 itime 256229 + itsplit 1 + acceleration/energy drift too large 6.29779030790586 + 25.8730097264853 split increased to 2 itime 258121 + itsplit 1 + acceleration/energy drift too large 7.44525875256638 + 39.3836564068932 split increased to 2 itime 258707 + itsplit 1 + acceleration/energy drift too large 12.4135413288451 + 55.5102788257445 split increased to 2 itime 259403 + itsplit 1 + acceleration/energy drift too large 2.65543237745000 + 12.0025509471393 split increased to 2 itime 265674 + itsplit 1 + acceleration/energy drift too large 2.06613873680979 + 12.2617485722993 split increased to 2 itime 265681 + itsplit 1 + acceleration/energy drift too large 3.13762773440860 + 10.8292687716040 split increased to 2 itime 265683 + itsplit 1 + acceleration/energy drift too large 2.81285555564065 + 10.9593771113962 split increased to 2 itime 265692 + itsplit 1 + acceleration/energy drift too large 3.38952210418907 + 14.0784694161536 split increased to 2 itime 265890 + itsplit 1 + acceleration/energy drift too large 11.1001329471798 + 51.8536583414426 split increased to 2 itime 266749 + itsplit 1 + acceleration/energy drift too large 7.80939107915785 + 22.7586465545398 split increased to 2 itime 267371 + itsplit 1 + acceleration/energy drift too large 4.33983222209805 + 12.2111350298332 split increased to 2 itime 270506 + itsplit 1 + acceleration/energy drift too large 3.63291128698837 + 10.1576368425821 split increased to 2 itime 271178 + itsplit 1 + acceleration/energy drift too large 2.54247680609218 + 10.1803463167128 split increased to 2 itime 274561 + itsplit 1 + acceleration/energy drift too large 3.07126177362703 + 10.0445037538388 split increased to 2 itime 274693 + itsplit 1 + acceleration/energy drift too large 2.49757231335019 + 10.2344073261167 split increased to 2 itime 274758 + itsplit 1 + acceleration/energy drift too large 5.49775122601844 + 13.2721919813381 split increased to 2 itime 280580 + itsplit 1 + acceleration/energy drift too large 5.01330379975365 + 18.6797560492280 split increased to 2 itime 281897 + itsplit 1 + acceleration/energy drift too large 2.19453561861262 + 10.1661175165272 split increased to 2 itime 283308 + itsplit 1 + acceleration/energy drift too large 4.19230346213308 + 13.7416301125946 split increased to 2 itime 283534 + itsplit 1 + acceleration/energy drift too large 10.7575306802793 + 56.2501450627783 split increased to 2 itime 291227 + itsplit 1 + acceleration/energy drift too large 4.70277060063352 + 11.0147728582671 split increased to 2 itime 291642 + itsplit 1 + acceleration/energy drift too large 6.06761348131801 + 19.5350047137485 split increased to 2 itime 292810 + itsplit 1 + acceleration/energy drift too large 2.45355661794724 + 10.0668239644584 split increased to 2 itime 299351 + itsplit 1 + acceleration/energy drift too large 2.61841955106773 + 10.9013641768885 split increased to 2 itime 299463 + itsplit 1 + acceleration/energy drift too large 2.64006131933536 + 17.3861906171351 split increased to 2 itime 299880 + itsplit 1 + REMD synchro at 300000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 118.109375000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.00000 3 +ACC 2 260.00000 1.00000 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.33333 3 +ACC 5 290.00000 0.66667 3 +ACC 6 300.00000 1.00000 3 +ACC 7 310.00000 0.33333 3 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 4.72793967015098 + 15.1752628844156 split increased to 2 itime 300756 + itsplit 1 + acceleration/energy drift too large 4.66040627613142 + 23.4182183203648 split increased to 2 itime 300911 + itsplit 1 + acceleration/energy drift too large 3.61596973682947 + 15.0953045151588 split increased to 2 itime 301915 + itsplit 1 + acceleration/energy drift too large 3.66210427036869 + 14.2418825586096 split increased to 2 itime 303554 + itsplit 1 + acceleration/energy drift too large 4.67370280541112 + 18.8431776909442 split increased to 2 itime 304417 + itsplit 1 + acceleration/energy drift too large 1.45602157451694 + 16.2795388291869 split increased to 2 itime 304418 + itsplit 1 + acceleration/energy drift too large 2.99435547775342 + 11.7038953281149 split increased to 2 itime 304584 + itsplit 1 + acceleration/energy drift too large 11.0831346111954 + 58.0964280669970 split increased to 2 itime 311730 + itsplit 1 + acceleration/energy drift too large 4.81510104681937 + 17.8281621572103 split increased to 2 itime 314056 + itsplit 1 + acceleration/energy drift too large 6.40786411222459 + 22.9634805792219 split increased to 2 itime 316288 + itsplit 1 + acceleration/energy drift too large 7.54219908503625 + 25.5996617916688 split increased to 2 itime 317694 + itsplit 1 + acceleration/energy drift too large 2.09454046209944 + 10.2517218977358 split increased to 2 itime 320285 + itsplit 1 + acceleration/energy drift too large 4.80102152897987 + 29.9677296310039 split increased to 2 itime 325606 + itsplit 1 + acceleration/energy drift too large 3.56737180697507 + 20.2125978686371 split increased to 2 itime 326037 + itsplit 1 + acceleration/energy drift too large 7.22713320417288 + 22.2475233785378 split increased to 2 itime 329471 + itsplit 1 + acceleration/energy drift too large 6.82800698438666 + 20.7980271650654 split increased to 2 itime 334536 + itsplit 1 + acceleration/energy drift too large 4.96338155418168 + 12.4474381848688 split increased to 2 itime 335036 + itsplit 1 + acceleration/energy drift too large 4.53507186381455 + 14.2045366308279 split increased to 2 itime 335677 + itsplit 1 + acceleration/energy drift too large 4.62972647630605 + 12.5550411995306 split increased to 2 itime 336192 + itsplit 1 + acceleration/energy drift too large 6.06755998182457 + 27.8886634979340 split increased to 2 itime 336238 + itsplit 1 + acceleration/energy drift too large 2.83496922734442 + 12.0452628164488 split increased to 2 itime 341105 + itsplit 1 + acceleration/energy drift too large 5.70499867575682 + 18.6330729513646 split increased to 2 itime 341729 + itsplit 1 + acceleration/energy drift too large 10.2509021064175 + 54.3307812079466 split increased to 2 itime 343627 + itsplit 1 + acceleration/energy drift too large 4.53567379925911 + 15.5787465032927 split increased to 2 itime 344765 + itsplit 1 + acceleration/energy drift too large 2.34910412647582 + 11.4066831717411 split increased to 2 itime 345135 + itsplit 1 + acceleration/energy drift too large 3.34112593912448 + 12.3503628231198 split increased to 2 itime 345809 + itsplit 1 + acceleration/energy drift too large 3.92054093281767 + 10.3619888680073 split increased to 2 itime 345957 + itsplit 1 + acceleration/energy drift too large 4.60188697922431 + 13.5374110552558 split increased to 2 itime 346379 + itsplit 1 + acceleration/energy drift too large 3.72544866392539 + 10.3183611689152 split increased to 2 itime 347557 + itsplit 1 + acceleration/energy drift too large 5.06628129110537 + 11.1652123159367 split increased to 2 itime 348951 + itsplit 1 + acceleration/energy drift too large 4.16072166864979 + 18.9931939795688 split increased to 2 itime 349363 + itsplit 1 + acceleration/energy drift too large 2.29507012800224 + 10.9139930650483 split increased to 2 itime 350122 + itsplit 1 + acceleration/energy drift too large 4.29322202576090 + 10.9735591274698 split increased to 2 itime 350795 + itsplit 1 + acceleration/energy drift too large 9.82286353074248 + 44.0750951110660 split increased to 2 itime 351103 + itsplit 1 + acceleration/energy drift too large 4.08168175575937 + 18.9210472126944 split increased to 2 itime 356037 + itsplit 1 + acceleration/energy drift too large 3.90699506859462 + 10.1145620328750 split increased to 2 itime 357297 + itsplit 1 + acceleration/energy drift too large 4.45667366680077 + 13.1513532966716 split increased to 2 itime 357386 + itsplit 1 + acceleration/energy drift too large 2.93896860614967 + 10.9492343401078 split increased to 2 itime 357539 + itsplit 1 + acceleration/energy drift too large 4.19998924610281 + 11.3378070198131 split increased to 2 itime 357603 + itsplit 1 + acceleration/energy drift too large 6.87404532260868 + 16.8515227764894 split increased to 2 itime 358947 + itsplit 1 + acceleration/energy drift too large 5.27316141157960 + 24.1435435160295 split increased to 2 itime 361684 + itsplit 1 + acceleration/energy drift too large 4.47229702050832 + 13.4202958101381 split increased to 2 itime 368819 + itsplit 1 + acceleration/energy drift too large 6.25758447509473 + 18.9183394314035 split increased to 2 itime 369261 + itsplit 1 + acceleration/energy drift too large 6.12288706322436 + 36.7787192796118 split increased to 2 itime 371873 + itsplit 1 + acceleration/energy drift too large 2.71939078146220 + 10.6363014882108 split increased to 2 itime 376517 + itsplit 1 + acceleration/energy drift too large 4.02947389765559 + 10.1322742203006 split increased to 2 itime 376527 + itsplit 1 + acceleration/energy drift too large 5.60607543290980 + 22.8571536437450 split increased to 2 itime 377009 + itsplit 1 + acceleration/energy drift too large 5.08356101092109 + 11.2211356159098 split increased to 2 itime 377568 + itsplit 1 + acceleration/energy drift too large 4.69946442072449 + 13.9777696212737 split increased to 2 itime 381318 + itsplit 1 + acceleration/energy drift too large 9.34069644899130 + 34.0555605910648 split increased to 2 itime 383493 + itsplit 1 + acceleration/energy drift too large 6.27248498501550 + 10.4039078718275 split increased to 2 itime 390244 + itsplit 1 + acceleration/energy drift too large 6.52577007005597 + 26.6490801364831 split increased to 2 itime 390544 + itsplit 1 + acceleration/energy drift too large 5.41096965651657 + 19.4284264358583 split increased to 2 itime 391032 + itsplit 1 + acceleration/energy drift too large 9.65886191056836 + 33.8381494710579 split increased to 2 itime 393221 + itsplit 1 + acceleration/energy drift too large 11.9468472090546 + 82.4751608104003 split increased to 2 itime 393729 + itsplit 1 + acceleration/energy drift too large 10.4699304006037 + 58.5649932729230 split increased to 2 itime 394997 + itsplit 1 + acceleration/energy drift too large 2.20445882038501 + 10.9818511065717 split increased to 2 itime 396057 + itsplit 1 + acceleration/energy drift too large 8.06703128456995 + 30.8844960251752 split increased to 2 itime 397072 + itsplit 1 + acceleration/energy drift too large 6.72810857639519 + 23.1823116638008 split increased to 2 itime 398147 + itsplit 1 + REMD synchro at 400000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 157.765625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.00000 4 +ACC 2 260.00000 1.00000 4 +ACC 3 270.00000 0.50000 4 +ACC 4 280.00000 0.25000 4 +ACC 5 290.00000 0.75000 4 +ACC 6 300.00000 1.00000 4 +ACC 7 310.00000 0.50000 4 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.76528137629433 + 18.9152164268437 split increased to 2 itime 400595 + itsplit 1 + acceleration/energy drift too large 6.35716823717715 + 22.3062693248204 split increased to 2 itime 400699 + itsplit 1 + acceleration/energy drift too large 7.84809751161058 + 21.2742956213607 split increased to 2 itime 401493 + itsplit 1 + acceleration/energy drift too large 11.4558871023131 + 62.8925907237390 split increased to 2 itime 401804 + itsplit 1 + acceleration/energy drift too large 7.22266505466903 + 20.7052003144113 split increased to 2 itime 401902 + itsplit 1 + acceleration/energy drift too large 6.37515539426735 + 14.6428901601758 split increased to 2 itime 403244 + itsplit 1 + acceleration/energy drift too large 3.16725001786478 + 11.2539011497379 split increased to 2 itime 406744 + itsplit 1 + acceleration/energy drift too large 3.62993852531751 + 31.3732987741173 split increased to 2 itime 410866 + itsplit 1 + acceleration/energy drift too large 5.41633694707513 + 17.8770337551578 split increased to 2 itime 411286 + itsplit 1 + acceleration/energy drift too large 2.46400733597370 + 15.6735292023452 split increased to 2 itime 412255 + itsplit 1 + acceleration/energy drift too large 5.53308107445780 + 17.4155467837664 split increased to 2 itime 415799 + itsplit 1 + acceleration/energy drift too large 5.94983636372315 + 15.9623114605275 split increased to 2 itime 416125 + itsplit 1 + acceleration/energy drift too large 8.67810320012529 + 29.0968437798901 split increased to 2 itime 417402 + itsplit 1 + acceleration/energy drift too large 4.35569399050208 + 11.7334556399489 split increased to 2 itime 417622 + itsplit 1 + acceleration/energy drift too large 3.30596955710362 + 10.3409002377787 split increased to 2 itime 418656 + itsplit 1 + acceleration/energy drift too large 4.93867457636622 + 10.6515985115818 split increased to 2 itime 419477 + itsplit 1 + acceleration/energy drift too large 3.91663018910074 + 23.3003716403585 split increased to 2 itime 420627 + itsplit 1 + acceleration/energy drift too large 7.96978572029989 + 28.4042731793131 split increased to 2 itime 424491 + itsplit 1 + acceleration/energy drift too large 4.48312086924299 + 10.8838591539524 split increased to 2 itime 424548 + itsplit 1 + acceleration/energy drift too large 5.20276394284693 + 15.5571360489642 split increased to 2 itime 428294 + itsplit 1 + acceleration/energy drift too large 11.9895150656543 + 68.2021702707443 split increased to 2 itime 429107 + itsplit 1 + acceleration/energy drift too large 3.54220051490668 + 10.4024163466329 split increased to 2 itime 429115 + itsplit 1 + acceleration/energy drift too large 2.69599872727365 + 10.7305518426037 split increased to 2 itime 429134 + itsplit 1 + acceleration/energy drift too large 1.54786601754391 + 10.9032473998093 split increased to 2 itime 431099 + itsplit 1 + acceleration/energy drift too large 7.63630639282310 + 13.8009359657687 split increased to 2 itime 436405 + itsplit 1 + acceleration/energy drift too large 2.51122897290491 + 11.8305425090823 split increased to 2 itime 440551 + itsplit 1 + acceleration/energy drift too large 2.72166804342636 + 11.2495723220724 split increased to 2 itime 440605 + itsplit 1 + acceleration/energy drift too large 8.58877959848657 + 33.3066132338974 split increased to 2 itime 440685 + itsplit 1 + acceleration/energy drift too large 6.33750986692049 + 19.1689970666315 split increased to 2 itime 440738 + itsplit 1 + acceleration/energy drift too large 2.79915952607211 + 19.5073471065654 split increased to 2 itime 442200 + itsplit 1 + acceleration/energy drift too large 3.69702427548960 + 14.8047535374368 split increased to 2 itime 442201 + itsplit 1 + acceleration/energy drift too large 2.67479726465997 + 10.7673797010477 split increased to 2 itime 442302 + itsplit 1 + acceleration/energy drift too large 1.76317474317928 + 11.1030106400444 split increased to 2 itime 443059 + itsplit 1 + acceleration/energy drift too large 3.96725090425869 + 33.2671258782010 split increased to 2 itime 443223 + itsplit 1 + acceleration/energy drift too large 1.99657748054833 + 10.9742134976835 split increased to 2 itime 446835 + itsplit 1 + acceleration/energy drift too large 4.92437873951666 + 12.3199097274015 split increased to 2 itime 447236 + itsplit 1 + acceleration/energy drift too large 7.81784117413882 + 27.1356400374625 split increased to 2 itime 447913 + itsplit 1 + acceleration/energy drift too large 2.66934366627334 + 10.4915529948296 split increased to 2 itime 448803 + itsplit 1 + acceleration/energy drift too large 8.07905592534353 + 37.3855141278889 split increased to 2 itime 450743 + itsplit 1 + acceleration/energy drift too large 5.23840632032607 + 12.3565337729949 split increased to 2 itime 455141 + itsplit 1 + acceleration/energy drift too large 1.52507795198408 + 17.2799920842790 split increased to 2 itime 456808 + itsplit 1 + acceleration/energy drift too large 12.7657768637565 + 64.7909622775309 split increased to 2 itime 457747 + itsplit 1 + acceleration/energy drift too large 3.33487566661482 + 10.1332690372463 split increased to 2 itime 458191 + itsplit 1 + acceleration/energy drift too large 5.51042171311435 + 16.6632476738072 split increased to 2 itime 459182 + itsplit 1 + acceleration/energy drift too large 7.48058882220526 + 25.5950893777778 split increased to 2 itime 459619 + itsplit 1 + acceleration/energy drift too large 6.12341381013875 + 19.0354985676417 split increased to 2 itime 462589 + itsplit 1 + acceleration/energy drift too large 3.33172805964860 + 19.0486627654567 split increased to 2 itime 462613 + itsplit 1 + acceleration/energy drift too large 5.92891045235391 + 17.5473584248474 split increased to 2 itime 463149 + itsplit 1 + acceleration/energy drift too large 3.40840410584659 + 10.2156551066010 split increased to 2 itime 463285 + itsplit 1 + acceleration/energy drift too large 9.30094460396799 + 39.0892939049737 split increased to 2 itime 463541 + itsplit 1 + acceleration/energy drift too large 4.65707318395544 + 11.2117054420582 split increased to 2 itime 464281 + itsplit 1 + acceleration/energy drift too large 2.20965772608548 + 10.2683540118625 split increased to 2 itime 466139 + itsplit 1 + acceleration/energy drift too large 4.17932083821145 + 10.4065741232833 split increased to 2 itime 476085 + itsplit 1 + acceleration/energy drift too large 7.84940588562164 + 30.5183689193394 split increased to 2 itime 476144 + itsplit 1 + acceleration/energy drift too large 8.11452023297231 + 31.9023003444632 split increased to 2 itime 480400 + itsplit 1 + acceleration/energy drift too large 4.59919596486169 + 11.4657765327672 split increased to 2 itime 481016 + itsplit 1 + acceleration/energy drift too large 6.69913238415660 + 24.5262799740877 split increased to 2 itime 482369 + itsplit 1 + acceleration/energy drift too large 2.80257553068563 + 13.3756754786089 split increased to 2 itime 482422 + itsplit 1 + acceleration/energy drift too large 8.34424220263782 + 34.0555270237589 split increased to 2 itime 482496 + itsplit 1 + acceleration/energy drift too large 9.89802922063932 + 46.7905628492208 split increased to 2 itime 482786 + itsplit 1 + acceleration/energy drift too large 14.7486480514098 + 82.2416743122557 split increased to 2 itime 485237 + itsplit 1 + acceleration/energy drift too large 10.9918933227943 + 48.2171417205249 split increased to 2 itime 488387 + itsplit 1 + acceleration/energy drift too large 13.5248934694627 + 84.6187689370187 split increased to 2 itime 491024 + itsplit 1 + acceleration/energy drift too large 5.12004566117031 + 12.5006640685325 split increased to 2 itime 491217 + itsplit 1 + acceleration/energy drift too large 4.62378699181046 + 15.7359452150762 split increased to 2 itime 494842 + itsplit 1 + acceleration/energy drift too large 1.94131773374966 + 10.6642856388911 split increased to 2 itime 495263 + itsplit 1 + acceleration/energy drift too large 4.53882651100607 + 11.0913514520934 split increased to 2 itime 496963 + itsplit 1 + acceleration/energy drift too large 7.46393772452495 + 22.0642266192114 split increased to 2 itime 497257 + itsplit 1 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 197.445312500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.00000 5 +ACC 2 260.00000 1.00000 5 +ACC 3 270.00000 0.40000 5 +ACC 4 280.00000 0.40000 5 +ACC 5 290.00000 0.60000 5 +ACC 6 300.00000 1.00000 5 +ACC 7 310.00000 0.40000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 7.50900403416654 + 27.5446702958400 split increased to 2 itime 501014 + itsplit 1 + acceleration/energy drift too large 4.17725480895850 + 16.5702840974671 split increased to 2 itime 502332 + itsplit 1 + acceleration/energy drift too large 6.07618123970452 + 16.2153805601781 split increased to 2 itime 508590 + itsplit 1 + acceleration/energy drift too large 5.70606727506766 + 20.5520815829891 split increased to 2 itime 509010 + itsplit 1 + acceleration/energy drift too large 6.72570158634208 + 16.4640984868293 split increased to 2 itime 509786 + itsplit 1 + acceleration/energy drift too large 4.53506047192253 + 13.0484215372048 split increased to 2 itime 510538 + itsplit 1 + acceleration/energy drift too large 1.87811346239179 + 10.3978009288242 split increased to 2 itime 511753 + itsplit 1 + acceleration/energy drift too large 5.19686138921645 + 14.4934502883267 split increased to 2 itime 512188 + itsplit 1 + acceleration/energy drift too large 8.60220207215693 + 32.4842881295725 split increased to 2 itime 514390 + itsplit 1 + acceleration/energy drift too large 5.83605475997747 + 18.7719989795466 split increased to 2 itime 514516 + itsplit 1 + acceleration/energy drift too large 2.05216156218067 + 13.1325218209728 split increased to 2 itime 515487 + itsplit 1 + acceleration/energy drift too large 4.83151104409780 + 15.6556824051344 split increased to 2 itime 517886 + itsplit 1 + acceleration/energy drift too large 8.90677205774902 + 13.2991113522715 split increased to 2 itime 518470 + itsplit 1 + acceleration/energy drift too large 1.55873228437365 + 12.0513858644168 split increased to 2 itime 520971 + itsplit 1 + acceleration/energy drift too large 7.99757097323012 + 30.8828168917488 split increased to 2 itime 521609 + itsplit 1 + acceleration/energy drift too large 3.52049942844456 + 18.8951828831860 split increased to 2 itime 522108 + itsplit 1 + acceleration/energy drift too large 4.93743449703613 + 17.9454216587535 split increased to 2 itime 523546 + itsplit 1 + acceleration/energy drift too large 2.79201637010132 + 24.2223230662151 split increased to 2 itime 524775 + itsplit 1 + acceleration/energy drift too large 6.47990626841869 + 36.2402149933173 split increased to 2 itime 525363 + itsplit 1 + acceleration/energy drift too large 4.88856873583990 + 12.3650472445267 split increased to 2 itime 527272 + itsplit 1 + acceleration/energy drift too large 6.16379767003773 + 21.8070799438585 split increased to 2 itime 527301 + itsplit 1 + acceleration/energy drift too large 4.97636809161150 + 11.8041846185277 split increased to 2 itime 527353 + itsplit 1 + acceleration/energy drift too large 9.55099015129207 + 42.2847404202911 split increased to 2 itime 528247 + itsplit 1 + acceleration/energy drift too large 3.47427601801362 + 10.1565218321010 split increased to 2 itime 529135 + itsplit 1 + acceleration/energy drift too large 5.96113520468168 + 14.8429759199479 split increased to 2 itime 529457 + itsplit 1 + acceleration/energy drift too large 8.13103043172691 + 28.0486466013811 split increased to 2 itime 529548 + itsplit 1 + acceleration/energy drift too large 7.68241904278665 + 27.3133029302084 split increased to 2 itime 530307 + itsplit 1 + acceleration/energy drift too large 3.11642780074165 + 10.5219589054614 split increased to 2 itime 530323 + itsplit 1 + acceleration/energy drift too large 2.02144803008016 + 11.4790652715456 split increased to 2 itime 530325 + itsplit 1 + acceleration/energy drift too large 2.29682887329730 + 14.7605803097151 split increased to 2 itime 532731 + itsplit 1 + acceleration/energy drift too large 8.19520495969552 + 28.5654973088707 split increased to 2 itime 532780 + itsplit 1 + acceleration/energy drift too large 4.05476930810241 + 11.3930943167692 split increased to 2 itime 534942 + itsplit 1 + acceleration/energy drift too large 10.3642150714910 + 53.6221261442702 split increased to 2 itime 538600 + itsplit 1 + acceleration/energy drift too large 4.78560840039094 + 10.3408445630894 split increased to 2 itime 541784 + itsplit 1 + acceleration/energy drift too large 6.31930777616046 + 22.4948240815235 split increased to 2 itime 546755 + itsplit 1 + acceleration/energy drift too large 7.79044231117698 + 30.4068529368244 split increased to 2 itime 548082 + itsplit 1 + acceleration/energy drift too large 2.50625057638106 + 12.3065710978013 split increased to 2 itime 549302 + itsplit 1 + acceleration/energy drift too large 3.29112150249386 + 10.3748523901260 split increased to 2 itime 549748 + itsplit 1 + acceleration/energy drift too large 8.20055199987064 + 33.6536206544168 split increased to 2 itime 551042 + itsplit 1 + acceleration/energy drift too large 4.23522658046993 + 14.7884631941625 split increased to 2 itime 556278 + itsplit 1 + acceleration/energy drift too large 5.68944954689445 + 35.9193089656826 split increased to 2 itime 557135 + itsplit 1 + acceleration/energy drift too large 6.21365084988955 + 17.9957887195218 split increased to 2 itime 557750 + itsplit 1 + acceleration/energy drift too large 2.25582035030492 + 11.4193003567222 split increased to 2 itime 558642 + itsplit 1 + acceleration/energy drift too large 13.5317692717754 + 79.0834859515207 split increased to 2 itime 560207 + itsplit 1 + acceleration/energy drift too large 2.52404544420669 + 11.1503300947159 split increased to 4 itime 560207 + itsplit 1 + acceleration/energy drift too large 5.69416189719272 + 12.5795838067874 split increased to 2 itime 566902 + itsplit 1 + acceleration/energy drift too large 5.73126540227734 + 10.6350922275790 split increased to 2 itime 567690 + itsplit 1 + acceleration/energy drift too large 2.90765212451102 + 15.5761231645314 split increased to 2 itime 567695 + itsplit 1 + acceleration/energy drift too large 11.5885351457228 + 58.8666841095515 split increased to 2 itime 567900 + itsplit 1 + acceleration/energy drift too large 2.12757217708945 + 13.0872110744824 split increased to 2 itime 571361 + itsplit 1 + acceleration/energy drift too large 8.69640960950267 + 37.9694952926861 split increased to 2 itime 571785 + itsplit 1 + acceleration/energy drift too large 5.68034348404928 + 19.8833474102247 split increased to 2 itime 574060 + itsplit 1 + acceleration/energy drift too large 3.72877291300232 + 12.5902366796661 split increased to 2 itime 574597 + itsplit 1 + acceleration/energy drift too large 3.57608189291435 + 13.0454019801732 split increased to 2 itime 578281 + itsplit 1 + acceleration/energy drift too large 5.33415794604788 + 22.7449980891698 split increased to 2 itime 579693 + itsplit 1 + acceleration/energy drift too large 3.06973229604473 + 22.3495355826886 split increased to 2 itime 581686 + itsplit 1 + acceleration/energy drift too large 6.24898956712644 + 21.3035538708782 split increased to 2 itime 582487 + itsplit 1 + acceleration/energy drift too large 5.19134079220393 + 10.9790768794968 split increased to 2 itime 582656 + itsplit 1 + acceleration/energy drift too large 6.80197608164520 + 29.3999508366813 split increased to 2 itime 583899 + itsplit 1 + acceleration/energy drift too large 3.17695027724316 + 10.5313182869027 split increased to 2 itime 585507 + itsplit 1 + acceleration/energy drift too large 1.59906457598754 + 12.1399017422161 split increased to 2 itime 586237 + itsplit 1 + acceleration/energy drift too large 1.72651279818246 + 12.4840963225588 split increased to 2 itime 586357 + itsplit 1 + acceleration/energy drift too large 5.34385290161771 + 11.2362647432214 split increased to 2 itime 589286 + itsplit 1 + acceleration/energy drift too large 8.30516435779183 + 25.9971879374983 split increased to 2 itime 589804 + itsplit 1 + acceleration/energy drift too large 4.88846891091825 + 10.0939699741975 split increased to 2 itime 589999 + itsplit 1 + acceleration/energy drift too large 2.58282828753721 + 10.4085396105576 split increased to 2 itime 590004 + itsplit 1 + acceleration/energy drift too large 4.66440413772390 + 11.2421302629400 split increased to 2 itime 590374 + itsplit 1 + acceleration/energy drift too large 17.3948840685740 + 102.625829844118 split increased to 2 itime 590925 + itsplit 1 + acceleration/energy drift too large 3.71413260669478 + 20.6170389786129 split increased to 4 itime 590925 + itsplit 2 + acceleration/energy drift too large 5.51494013469141 + 16.0336040785288 split increased to 2 itime 592224 + itsplit 1 + acceleration/energy drift too large 4.45216777613609 + 10.0183789134888 split increased to 2 itime 592225 + itsplit 1 + acceleration/energy drift too large 3.10040440846196 + 10.3541903991900 split increased to 2 itime 592563 + itsplit 1 + acceleration/energy drift too large 5.36627123022187 + 10.2780892272313 split increased to 2 itime 595104 + itsplit 1 + acceleration/energy drift too large 2.44173381520636 + 13.8192908210974 split increased to 2 itime 595446 + itsplit 1 + acceleration/energy drift too large 9.69263911904402 + 44.3222562049126 split increased to 2 itime 597435 + itsplit 1 + acceleration/energy drift too large 12.0335115752171 + 57.6104710240538 split increased to 2 itime 598577 + itsplit 1 + acceleration/energy drift too large 2.79641289552280 + 13.4043077783830 split increased to 4 itime 598577 + itsplit 2 + acceleration/energy drift too large 2.22726855821489 + 10.1267312261811 split increased to 2 itime 599309 + itsplit 1 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 237.109375000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.16667 6 +ACC 2 260.00000 1.00000 6 +ACC 3 270.00000 0.33333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.66667 6 +ACC 6 300.00000 1.00000 6 +ACC 7 310.00000 0.50000 6 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 5.58546343444704 + 15.0548641884903 split increased to 2 itime 601878 + itsplit 1 + acceleration/energy drift too large 5.52809146262567 + 17.4916928437900 split increased to 2 itime 602411 + itsplit 1 + acceleration/energy drift too large 5.27520661432915 + 28.4260245745983 split increased to 2 itime 604903 + itsplit 1 + acceleration/energy drift too large 10.7091604673618 + 48.6458205610094 split increased to 2 itime 605354 + itsplit 1 + acceleration/energy drift too large 13.3983519341439 + 68.9624238506460 split increased to 2 itime 605983 + itsplit 1 + acceleration/energy drift too large 3.16205608757604 + 15.4900686421038 split increased to 4 itime 605983 + itsplit 2 + acceleration/energy drift too large 2.66091884482526 + 13.3206883662034 split increased to 2 itime 606006 + itsplit 1 + acceleration/energy drift too large 6.08358463547764 + 27.1217834383387 split increased to 2 itime 609632 + itsplit 1 + acceleration/energy drift too large 6.25250056843083 + 11.4491403874430 split increased to 2 itime 609684 + itsplit 1 + acceleration/energy drift too large 4.83622938333850 + 13.0407062469096 split increased to 2 itime 610728 + itsplit 1 + acceleration/energy drift too large 2.95605734475806 + 11.9787969223421 split increased to 2 itime 611550 + itsplit 1 + acceleration/energy drift too large 13.4930954611733 + 73.9062338473796 split increased to 2 itime 614180 + itsplit 1 + acceleration/energy drift too large 2.91153716177087 + 15.8821454416596 split increased to 4 itime 614180 + itsplit 2 + acceleration/energy drift too large 4.06572241737329 + 11.8108467775741 split increased to 2 itime 615925 + itsplit 1 + acceleration/energy drift too large 2.62647171683830 + 13.0013702410149 split increased to 2 itime 616220 + itsplit 1 + acceleration/energy drift too large 4.05099726855354 + 11.3958267635391 split increased to 2 itime 616626 + itsplit 1 + acceleration/energy drift too large 4.16491863219391 + 10.6155862426420 split increased to 2 itime 618680 + itsplit 1 + acceleration/energy drift too large 2.41942223273229 + 10.9988570424266 split increased to 2 itime 622690 + itsplit 1 + acceleration/energy drift too large 6.27090818302612 + 17.8341402870532 split increased to 2 itime 623203 + itsplit 1 + acceleration/energy drift too large 3.30319687192904 + 10.6416920545302 split increased to 2 itime 623301 + itsplit 1 + acceleration/energy drift too large 4.41300470265790 + 11.7638616535732 split increased to 2 itime 627403 + itsplit 1 + acceleration/energy drift too large 3.09923768567914 + 10.7253101609193 split increased to 2 itime 631853 + itsplit 1 + acceleration/energy drift too large 5.62796992462099 + 10.3503562492554 split increased to 2 itime 632864 + itsplit 1 + acceleration/energy drift too large 2.96135814596404 + 10.1756354165387 split increased to 2 itime 635363 + itsplit 1 + acceleration/energy drift too large 2.80933381483433 + 10.3437431241457 split increased to 2 itime 635467 + itsplit 1 + acceleration/energy drift too large 3.23269975789914 + 10.4154201891087 split increased to 2 itime 635502 + itsplit 1 + acceleration/energy drift too large 10.4255130609354 + 47.4938112377871 split increased to 2 itime 638911 + itsplit 1 + acceleration/energy drift too large 5.87198866748517 + 18.7968098752258 split increased to 2 itime 640260 + itsplit 1 + acceleration/energy drift too large 1.90355444256178 + 10.0243694970490 split increased to 2 itime 643660 + itsplit 1 + acceleration/energy drift too large 6.00662908239308 + 18.5934523705130 split increased to 2 itime 646880 + itsplit 1 + acceleration/energy drift too large 7.49660344390383 + 20.5238748314072 split increased to 2 itime 647821 + itsplit 1 + acceleration/energy drift too large 2.73347226218210 + 10.6018274332205 split increased to 2 itime 651091 + itsplit 1 + acceleration/energy drift too large 4.95846274240792 + 17.4485778837620 split increased to 2 itime 651610 + itsplit 1 + acceleration/energy drift too large 4.45714053539027 + 13.3830812958228 split increased to 2 itime 651859 + itsplit 1 + acceleration/energy drift too large 5.22466369019300 + 13.5535213352147 split increased to 2 itime 651860 + itsplit 1 + acceleration/energy drift too large 3.83020050998954 + 12.3136388280477 split increased to 2 itime 654074 + itsplit 1 + acceleration/energy drift too large 8.19583179155746 + 26.5283706841122 split increased to 2 itime 656670 + itsplit 1 + acceleration/energy drift too large 5.52015940770695 + 30.6647644951820 split increased to 2 itime 656826 + itsplit 1 + acceleration/energy drift too large 6.15072083966337 + 16.7381585501766 split increased to 2 itime 657528 + itsplit 1 + acceleration/energy drift too large 3.35944508135426 + 13.3468361226162 split increased to 2 itime 657566 + itsplit 1 + acceleration/energy drift too large 3.92379124958539 + 23.8904289152300 split increased to 2 itime 660743 + itsplit 1 + acceleration/energy drift too large 6.27215536868314 + 19.7485597493940 split increased to 2 itime 660953 + itsplit 1 + acceleration/energy drift too large 5.58874584037967 + 21.3180473977209 split increased to 2 itime 662305 + itsplit 1 + acceleration/energy drift too large 2.47105745086375 + 10.8315379730362 split increased to 2 itime 664015 + itsplit 1 + acceleration/energy drift too large 4.14784651207851 + 12.6777020756079 split increased to 2 itime 664447 + itsplit 1 + acceleration/energy drift too large 6.61942475059945 + 22.7582893899522 split increased to 2 itime 666018 + itsplit 1 + acceleration/energy drift too large 6.05590419311435 + 16.7644675771342 split increased to 2 itime 666084 + itsplit 1 + acceleration/energy drift too large 4.71957983398420 + 10.5101148846043 split increased to 2 itime 671495 + itsplit 1 + acceleration/energy drift too large 5.87757269010418 + 14.7966932352975 split increased to 2 itime 676781 + itsplit 1 + acceleration/energy drift too large 4.70268396608510 + 11.6312329467050 split increased to 2 itime 680262 + itsplit 1 + acceleration/energy drift too large 2.30741255261367 + 12.7487854698828 split increased to 2 itime 683617 + itsplit 1 + acceleration/energy drift too large 2.67744296955034 + 10.8174126600248 split increased to 2 itime 684868 + itsplit 1 + acceleration/energy drift too large 2.24912250262123 + 10.0170929220302 split increased to 2 itime 684964 + itsplit 1 + acceleration/energy drift too large 4.56958484558269 + 11.9543016156776 split increased to 2 itime 685024 + itsplit 1 + acceleration/energy drift too large 4.69120876127575 + 13.2506867305285 split increased to 2 itime 685270 + itsplit 1 + acceleration/energy drift too large 4.24753499051130 + 14.0617669655862 split increased to 2 itime 686190 + itsplit 1 + acceleration/energy drift too large 5.65742273820710 + 15.3199501889026 split increased to 2 itime 691808 + itsplit 1 + acceleration/energy drift too large 2.71552843573751 + 20.9363108725842 split increased to 2 itime 696360 + itsplit 1 + acceleration/energy drift too large 2.68882845348470 + 10.8476205629594 split increased to 2 itime 696431 + itsplit 1 + acceleration/energy drift too large 2.55133505303908 + 10.0691708036634 split increased to 2 itime 696453 + itsplit 1 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 277.035156250000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.14286 7 +ACC 2 260.00000 0.85714 7 +ACC 3 270.00000 0.42857 7 +ACC 4 280.00000 0.42857 7 +ACC 5 290.00000 0.57143 7 +ACC 6 300.00000 1.00000 7 +ACC 7 310.00000 0.57143 7 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 6.22266890588796 + 12.6661075702502 split increased to 2 itime 700068 + itsplit 1 + acceleration/energy drift too large 9.51331039119436 + 46.5884930839135 split increased to 2 itime 702152 + itsplit 1 + acceleration/energy drift too large 3.96521624926443 + 13.5199319773856 split increased to 2 itime 703020 + itsplit 1 + acceleration/energy drift too large 2.31769733540108 + 11.2623959237660 split increased to 2 itime 703713 + itsplit 1 + acceleration/energy drift too large 3.14013338796327 + 10.1392006128887 split increased to 2 itime 704579 + itsplit 1 + acceleration/energy drift too large 4.30260026694695 + 10.8277639501245 split increased to 2 itime 704633 + itsplit 1 + acceleration/energy drift too large 3.79340602147752 + 10.2174202512299 split increased to 2 itime 704653 + itsplit 1 + acceleration/energy drift too large 3.90712629883964 + 10.7558970446412 split increased to 2 itime 704697 + itsplit 1 + acceleration/energy drift too large 2.57072438235097 + 10.1708785450332 split increased to 2 itime 704714 + itsplit 1 + acceleration/energy drift too large 2.32481535748189 + 10.0992584273175 split increased to 2 itime 704731 + itsplit 1 + acceleration/energy drift too large 2.99259910061795 + 11.9263837798394 split increased to 2 itime 704803 + itsplit 1 + acceleration/energy drift too large 2.82185404611476 + 11.7890904603667 split increased to 2 itime 704809 + itsplit 1 + acceleration/energy drift too large 4.93060823139295 + 11.3672797038217 split increased to 2 itime 704935 + itsplit 1 + acceleration/energy drift too large 6.29362157794411 + 23.0408089547767 split increased to 2 itime 706379 + itsplit 1 + acceleration/energy drift too large 4.15499683296232 + 14.4548981011180 split increased to 2 itime 709005 + itsplit 1 + acceleration/energy drift too large 5.85433210797833 + 12.9809461776784 split increased to 2 itime 709899 + itsplit 1 + acceleration/energy drift too large 6.37249040788880 + 10.1845088664188 split increased to 2 itime 711292 + itsplit 1 + acceleration/energy drift too large 2.43871175449653 + 12.0194665995961 split increased to 2 itime 711336 + itsplit 1 + acceleration/energy drift too large 4.91036013100709 + 14.2538814376394 split increased to 2 itime 712027 + itsplit 1 + acceleration/energy drift too large 7.11866966174388 + 12.8125687896244 split increased to 2 itime 712028 + itsplit 1 + acceleration/energy drift too large 2.06789994113342 + 10.7297438434284 split increased to 2 itime 712844 + itsplit 1 + acceleration/energy drift too large 5.91841175101234 + 21.0639236808578 split increased to 2 itime 714602 + itsplit 1 + acceleration/energy drift too large 2.14729074036192 + 11.6876187789188 split increased to 2 itime 715010 + itsplit 1 + acceleration/energy drift too large 1.37558015177382 + 10.6762540083382 split increased to 2 itime 718072 + itsplit 1 + acceleration/energy drift too large 7.88001573400738 + 16.7010510809287 split increased to 2 itime 719960 + itsplit 1 + acceleration/energy drift too large 5.50961900450896 + 20.9418275826827 split increased to 2 itime 720707 + itsplit 1 + acceleration/energy drift too large 5.64194229379561 + 17.5436546543736 split increased to 2 itime 720750 + itsplit 1 + acceleration/energy drift too large 3.79069110714974 + 10.4397124133296 split increased to 2 itime 721129 + itsplit 1 + acceleration/energy drift too large 6.16434414605557 + 17.2978104861773 split increased to 2 itime 723275 + itsplit 1 + acceleration/energy drift too large 2.18866433835450 + 12.0872562691630 split increased to 2 itime 724159 + itsplit 1 + acceleration/energy drift too large 1.92793341597504 + 11.6349468563801 split increased to 2 itime 724173 + itsplit 1 + acceleration/energy drift too large 10.3477291010657 + 51.1382922793785 split increased to 2 itime 724413 + itsplit 1 + acceleration/energy drift too large 4.74872353084568 + 14.3388923931449 split increased to 2 itime 724864 + itsplit 1 + acceleration/energy drift too large 4.54821629271186 + 10.1563648822652 split increased to 2 itime 725474 + itsplit 1 + acceleration/energy drift too large 3.04487599446844 + 10.5098884587661 split increased to 2 itime 725556 + itsplit 1 + acceleration/energy drift too large 1.74252407607005 + 10.5560182171380 split increased to 2 itime 725562 + itsplit 1 + acceleration/energy drift too large 3.65588481295424 + 11.3761342370342 split increased to 2 itime 725652 + itsplit 1 + acceleration/energy drift too large 12.9162686863904 + 58.0407274520310 split increased to 2 itime 727423 + itsplit 1 + acceleration/energy drift too large 2.99709526832101 + 11.9844223981653 split increased to 2 itime 728538 + itsplit 1 + acceleration/energy drift too large 3.25691131706594 + 17.0932412937603 split increased to 2 itime 728928 + itsplit 1 + acceleration/energy drift too large 8.29471280000083 + 28.4247317904830 split increased to 2 itime 729033 + itsplit 1 + acceleration/energy drift too large 4.46197633984267 + 13.8385655572551 split increased to 2 itime 730125 + itsplit 1 + acceleration/energy drift too large 2.33043471461783 + 11.5594750922131 split increased to 2 itime 730380 + itsplit 1 + acceleration/energy drift too large 3.33095258859194 + 10.5290068329757 split increased to 2 itime 730465 + itsplit 1 + acceleration/energy drift too large 3.52812084852736 + 10.5249371233442 split increased to 2 itime 733411 + itsplit 1 + acceleration/energy drift too large 3.09534534055926 + 10.8869033703203 split increased to 2 itime 733490 + itsplit 1 + acceleration/energy drift too large 6.81656746870041 + 18.5260397263884 split increased to 2 itime 736492 + itsplit 1 + acceleration/energy drift too large 2.37441913926064 + 10.0831657586972 split increased to 2 itime 737486 + itsplit 1 + acceleration/energy drift too large 3.28860019907596 + 13.6743085791983 split increased to 2 itime 737490 + itsplit 1 + acceleration/energy drift too large 6.06172075079157 + 11.3267029982673 split increased to 2 itime 737492 + itsplit 1 + acceleration/energy drift too large 2.77463062763506 + 15.5797344382572 split increased to 2 itime 737493 + itsplit 1 + acceleration/energy drift too large 3.22343911246678 + 17.6986544451253 split increased to 2 itime 739320 + itsplit 1 + acceleration/energy drift too large 4.89875257823104 + 11.4649270392609 split increased to 2 itime 742455 + itsplit 1 + acceleration/energy drift too large 4.75158497962348 + 12.6082178953383 split increased to 2 itime 744572 + itsplit 1 + acceleration/energy drift too large 2.74496998422814 + 10.3546918786311 split increased to 2 itime 746090 + itsplit 1 + acceleration/energy drift too large 5.62501434075069 + 23.7461701691730 split increased to 2 itime 747582 + itsplit 1 + acceleration/energy drift too large 7.96162609855469 + 30.2392839742710 split increased to 2 itime 749090 + itsplit 1 + acceleration/energy drift too large 3.42663958022221 + 10.3137392120728 split increased to 2 itime 750002 + itsplit 1 + acceleration/energy drift too large 3.94798962433313 + 13.5840312731322 split increased to 2 itime 750700 + itsplit 1 + acceleration/energy drift too large 5.55416200822033 + 11.5922393481714 split increased to 2 itime 750793 + itsplit 1 + acceleration/energy drift too large 7.37737629259915 + 33.2192898999782 split increased to 2 itime 751143 + itsplit 1 + acceleration/energy drift too large 9.74765156075217 + 40.5652048236205 split increased to 2 itime 752334 + itsplit 1 + acceleration/energy drift too large 2.75185830786940 + 14.2839987470299 split increased to 4 itime 752334 + itsplit 2 + acceleration/energy drift too large 8.01415033522304 + 37.9807863381783 split increased to 2 itime 752598 + itsplit 1 + acceleration/energy drift too large 3.39019241179640 + 11.8851666061507 split increased to 2 itime 752654 + itsplit 1 + acceleration/energy drift too large 2.71927022721466 + 10.7506677715094 split increased to 2 itime 752662 + itsplit 1 + acceleration/energy drift too large 3.16063497524178 + 11.5982865238897 split increased to 2 itime 752666 + itsplit 1 + acceleration/energy drift too large 3.63328760304736 + 10.7779957825044 split increased to 2 itime 752668 + itsplit 1 + acceleration/energy drift too large 4.54701927735100 + 14.9645381490278 split increased to 2 itime 752670 + itsplit 1 + acceleration/energy drift too large 2.70267763244291 + 17.9240564782548 split increased to 2 itime 752671 + itsplit 1 + acceleration/energy drift too large 3.93012845718014 + 17.3955629802141 split increased to 2 itime 752674 + itsplit 1 + acceleration/energy drift too large 2.53007938244950 + 12.4786302939834 split increased to 2 itime 752675 + itsplit 1 + acceleration/energy drift too large 1.93592683164267 + 11.3481660210413 split increased to 2 itime 752676 + itsplit 1 + acceleration/energy drift too large 2.70582264035735 + 14.2620859802954 split increased to 2 itime 752677 + itsplit 1 + acceleration/energy drift too large 4.69534375261343 + 10.0307207112296 split increased to 2 itime 752680 + itsplit 1 + acceleration/energy drift too large 3.92375264456935 + 24.4564216859469 split increased to 2 itime 752681 + itsplit 1 + acceleration/energy drift too large 4.13597688821239 + 12.1091242600619 split increased to 2 itime 752683 + itsplit 1 + acceleration/energy drift too large 3.30349623467196 + 10.6975070038883 split increased to 2 itime 752699 + itsplit 1 + acceleration/energy drift too large 2.32553240270026 + 10.6096164382573 split increased to 2 itime 752710 + itsplit 1 + acceleration/energy drift too large 6.43861795995971 + 23.9445264510033 split increased to 2 itime 754176 + itsplit 1 + acceleration/energy drift too large 6.65909780895276 + 24.7712700580553 split increased to 2 itime 755802 + itsplit 1 + acceleration/energy drift too large 6.31224328170568 + 27.8753701959217 split increased to 2 itime 757544 + itsplit 1 + acceleration/energy drift too large 4.48723279416695 + 11.1611142785821 split increased to 2 itime 760174 + itsplit 1 + acceleration/energy drift too large 6.34321528508540 + 28.3845570208157 split increased to 2 itime 761469 + itsplit 1 + acceleration/energy drift too large 4.98912518953887 + 15.9434464120301 split increased to 2 itime 761679 + itsplit 1 + acceleration/energy drift too large 2.22826320663272 + 10.4591009882225 split increased to 2 itime 763514 + itsplit 1 + acceleration/energy drift too large 2.02339216982524 + 11.3051217232850 split increased to 2 itime 764060 + itsplit 1 + acceleration/energy drift too large 3.28425106141271 + 11.0262454110569 split increased to 2 itime 764585 + itsplit 1 + acceleration/energy drift too large 4.42973235374506 + 12.6205906290086 split increased to 2 itime 765017 + itsplit 1 + acceleration/energy drift too large 2.94120892814721 + 10.2999938728404 split increased to 2 itime 765207 + itsplit 1 + acceleration/energy drift too large 3.15715782038621 + 11.6713629185368 split increased to 2 itime 765427 + itsplit 1 + acceleration/energy drift too large 3.83985778573164 + 10.7037262604643 split increased to 2 itime 765446 + itsplit 1 + acceleration/energy drift too large 2.53572800981734 + 10.3157938996068 split increased to 2 itime 765482 + itsplit 1 + acceleration/energy drift too large 2.21298244307038 + 11.1093082892149 split increased to 2 itime 769580 + itsplit 1 + acceleration/energy drift too large 3.29300495707773 + 13.2049661076360 split increased to 2 itime 771041 + itsplit 1 + acceleration/energy drift too large 5.45466165996365 + 11.9730532482924 split increased to 2 itime 771074 + itsplit 1 + acceleration/energy drift too large 2.22016181059518 + 12.1897517361002 split increased to 2 itime 771728 + itsplit 1 + acceleration/energy drift too large 4.61595200678173 + 12.0665208836666 split increased to 2 itime 774652 + itsplit 1 + acceleration/energy drift too large 12.5062223036267 + 59.7358890940530 split increased to 2 itime 775245 + itsplit 1 + acceleration/energy drift too large 5.82877859574045 + 20.4872113237601 split increased to 2 itime 776623 + itsplit 1 + acceleration/energy drift too large 4.75061268948376 + 19.4190154892775 split increased to 2 itime 776802 + itsplit 1 + acceleration/energy drift too large 3.76318014509958 + 13.4573827772317 split increased to 2 itime 777059 + itsplit 1 + acceleration/energy drift too large 3.61202757868461 + 11.5809109827906 split increased to 2 itime 777705 + itsplit 1 + acceleration/energy drift too large 4.59013567773438 + 19.7737190746432 split increased to 2 itime 779006 + itsplit 1 + acceleration/energy drift too large 2.47941140224892 + 12.5596786766523 split increased to 2 itime 779100 + itsplit 1 + acceleration/energy drift too large 4.40850530238053 + 13.3042199927031 split increased to 2 itime 779155 + itsplit 1 + acceleration/energy drift too large 6.52049828678658 + 30.5147611262913 split increased to 2 itime 779583 + itsplit 1 + acceleration/energy drift too large 3.96614136123242 + 16.3052873194727 split increased to 2 itime 779694 + itsplit 1 + acceleration/energy drift too large 2.80761466352017 + 10.8020220812645 split increased to 2 itime 780430 + itsplit 1 + acceleration/energy drift too large 2.69150725633322 + 11.4320329612564 split increased to 2 itime 780506 + itsplit 1 + acceleration/energy drift too large 2.31246469838370 + 10.1715031267633 split increased to 2 itime 780534 + itsplit 1 + acceleration/energy drift too large 2.91305584981933 + 16.0521974514247 split increased to 2 itime 781433 + itsplit 1 + acceleration/energy drift too large 4.20825139806427 + 10.2831988021314 split increased to 2 itime 785918 + itsplit 1 + acceleration/energy drift too large 9.28235213637268 + 31.8161089853804 split increased to 2 itime 786211 + itsplit 1 + acceleration/energy drift too large 6.56612847390236 + 22.1401796718833 split increased to 2 itime 787172 + itsplit 1 + acceleration/energy drift too large 4.79753464246649 + 14.7871961257921 split increased to 2 itime 787230 + itsplit 1 + acceleration/energy drift too large 4.53001944401006 + 13.4596297260193 split increased to 2 itime 787404 + itsplit 1 + acceleration/energy drift too large 3.52590185762793 + 11.0933145233756 split increased to 2 itime 788773 + itsplit 1 + acceleration/energy drift too large 3.24628595522011 + 10.1379721933316 split increased to 2 itime 788789 + itsplit 1 + acceleration/energy drift too large 8.13555058663948 + 27.3970801761403 split increased to 2 itime 789193 + itsplit 1 + acceleration/energy drift too large 4.97947890777512 + 11.8074350454522 split increased to 2 itime 789718 + itsplit 1 + acceleration/energy drift too large 3.14323754984929 + 22.3580002588657 split increased to 2 itime 790645 + itsplit 1 + acceleration/energy drift too large 2.93611998222082 + 12.5302668042684 split increased to 2 itime 790754 + itsplit 1 + acceleration/energy drift too large 4.83192823545234 + 10.1348264580107 split increased to 2 itime 791148 + itsplit 1 + acceleration/energy drift too large 4.56230792637775 + 12.8050537538552 split increased to 2 itime 791350 + itsplit 1 + acceleration/energy drift too large 2.65443967226289 + 10.9506323764367 split increased to 2 itime 792428 + itsplit 1 + acceleration/energy drift too large 1.98530114114582 + 10.2207210542826 split increased to 2 itime 792844 + itsplit 1 + acceleration/energy drift too large 3.72021028707633 + 17.8879040240107 split increased to 2 itime 793143 + itsplit 1 + acceleration/energy drift too large 3.61728738110863 + 11.1272742839188 split increased to 2 itime 797798 + itsplit 1 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 316.710937500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.12500 8 +ACC 2 260.00000 0.87500 8 +ACC 3 270.00000 0.37500 8 +ACC 4 280.00000 0.37500 8 +ACC 5 290.00000 0.50000 8 +ACC 6 300.00000 1.00000 8 +ACC 7 310.00000 0.50000 8 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.04759777189784 + 18.7060242851618 split increased to 2 itime 801728 + itsplit 1 + acceleration/energy drift too large 2.22856245957937 + 10.4667759896492 split increased to 2 itime 804170 + itsplit 1 + acceleration/energy drift too large 6.77200349485410 + 15.6108881982449 split increased to 2 itime 805253 + itsplit 1 + acceleration/energy drift too large 2.92268838706356 + 11.3913275960643 split increased to 2 itime 805981 + itsplit 1 + acceleration/energy drift too large 2.20186141875850 + 16.5969788373684 split increased to 2 itime 805991 + itsplit 1 + acceleration/energy drift too large 3.26888472192852 + 10.4691788354374 split increased to 2 itime 806013 + itsplit 1 + acceleration/energy drift too large 7.35738879298710 + 12.3324564942039 split increased to 2 itime 806539 + itsplit 1 + acceleration/energy drift too large 5.99982704607795 + 13.3850910299251 split increased to 2 itime 807225 + itsplit 1 + acceleration/energy drift too large 5.65676101821954 + 13.3763648943318 split increased to 2 itime 807891 + itsplit 1 + acceleration/energy drift too large 4.34452019221622 + 16.1765012039935 split increased to 2 itime 808051 + itsplit 1 + acceleration/energy drift too large 6.51759969102698 + 22.1321750993877 split increased to 2 itime 809171 + itsplit 1 + acceleration/energy drift too large 7.41463375510252 + 17.3870892440910 split increased to 2 itime 810298 + itsplit 1 + acceleration/energy drift too large 7.11636198571468 + 15.7083718145018 split increased to 2 itime 812174 + itsplit 1 + acceleration/energy drift too large 6.99345218756695 + 12.6066793494944 split increased to 2 itime 813088 + itsplit 1 + acceleration/energy drift too large 4.88914563824126 + 10.0797024024354 split increased to 2 itime 813090 + itsplit 1 + acceleration/energy drift too large 5.78989847351531 + 17.5514012724352 split increased to 2 itime 813188 + itsplit 1 + acceleration/energy drift too large 6.52304330575791 + 20.8891504105015 split increased to 2 itime 814975 + itsplit 1 + acceleration/energy drift too large 6.78932255060707 + 22.6187214644894 split increased to 2 itime 815828 + itsplit 1 + acceleration/energy drift too large 5.70187046947739 + 25.3896359485052 split increased to 2 itime 819835 + itsplit 1 + acceleration/energy drift too large 7.60129848518354 + 14.4662270115419 split increased to 2 itime 820407 + itsplit 1 + acceleration/energy drift too large 8.94712944173327 + 40.5229942903566 split increased to 2 itime 820997 + itsplit 1 + acceleration/energy drift too large 2.27515445880527 + 11.5921771460632 split increased to 2 itime 821442 + itsplit 1 + acceleration/energy drift too large 6.10202055689394 + 16.2729463075284 split increased to 2 itime 822156 + itsplit 1 + acceleration/energy drift too large 6.05080806452347 + 14.7580457859862 split increased to 2 itime 822976 + itsplit 1 + acceleration/energy drift too large 2.85519928755847 + 17.6127447620196 split increased to 2 itime 823202 + itsplit 1 + acceleration/energy drift too large 2.42083645981002 + 10.1414285292442 split increased to 2 itime 823701 + itsplit 1 + acceleration/energy drift too large 3.37307205526463 + 10.0273966515836 split increased to 2 itime 826914 + itsplit 1 + acceleration/energy drift too large 6.70091105106446 + 30.9687909321332 split increased to 2 itime 829363 + itsplit 1 + acceleration/energy drift too large 7.49652171519678 + 27.3864183397681 split increased to 2 itime 829712 + itsplit 1 + acceleration/energy drift too large 6.44468908840959 + 12.2284361325357 split increased to 2 itime 833320 + itsplit 1 + acceleration/energy drift too large 2.20579661362847 + 10.2083614511523 split increased to 2 itime 835148 + itsplit 1 + acceleration/energy drift too large 5.67624996204251 + 13.1411314216703 split increased to 2 itime 837025 + itsplit 1 + acceleration/energy drift too large 6.13511514714189 + 16.2900273754332 split increased to 2 itime 837859 + itsplit 1 + acceleration/energy drift too large 3.45128896192725 + 10.5339807991883 split increased to 2 itime 841002 + itsplit 1 + acceleration/energy drift too large 3.78413427004312 + 10.4759495757062 split increased to 2 itime 841682 + itsplit 1 + acceleration/energy drift too large 10.4467310552014 + 24.0624742452977 split increased to 2 itime 841928 + itsplit 1 + acceleration/energy drift too large 10.6572572005651 + 48.7266139510165 split increased to 2 itime 843813 + itsplit 1 + acceleration/energy drift too large 10.5187685685253 + 57.4974130270608 split increased to 2 itime 845094 + itsplit 1 + acceleration/energy drift too large 3.77028861361857 + 11.6618188904552 split increased to 2 itime 845735 + itsplit 1 + acceleration/energy drift too large 3.93731307191247 + 10.3570731231119 split increased to 2 itime 845742 + itsplit 1 + acceleration/energy drift too large 6.77690029195726 + 16.4544130420051 split increased to 2 itime 846072 + itsplit 1 + acceleration/energy drift too large 5.37345742277203 + 10.9478987632294 split increased to 2 itime 851275 + itsplit 1 + acceleration/energy drift too large 4.16182393568173 + 10.9511961733471 split increased to 2 itime 853954 + itsplit 1 + acceleration/energy drift too large 8.78794325347103 + 42.5222746105986 split increased to 2 itime 854063 + itsplit 1 + acceleration/energy drift too large 6.06118199381852 + 17.1308611655635 split increased to 2 itime 854352 + itsplit 1 + acceleration/energy drift too large 5.65592795192431 + 14.8508816410991 split increased to 2 itime 855139 + itsplit 1 + acceleration/energy drift too large 4.31732146161154 + 12.0237786935408 split increased to 2 itime 855897 + itsplit 1 + acceleration/energy drift too large 2.11890083164189 + 13.6398371612654 split increased to 2 itime 857176 + itsplit 1 + acceleration/energy drift too large 5.27429184727652 + 10.5851496939040 split increased to 2 itime 858662 + itsplit 1 + acceleration/energy drift too large 5.61930943363464 + 20.1521530640847 split increased to 2 itime 859365 + itsplit 1 + acceleration/energy drift too large 3.08288564641486 + 12.1358042117614 split increased to 2 itime 861081 + itsplit 1 + acceleration/energy drift too large 6.91619947579062 + 49.3098548076224 split increased to 2 itime 861264 + itsplit 1 + acceleration/energy drift too large 5.38727465260426 + 13.2374522040566 split increased to 2 itime 863426 + itsplit 1 + acceleration/energy drift too large 5.39003544515304 + 33.0444794455022 split increased to 2 itime 864140 + itsplit 1 + acceleration/energy drift too large 4.93064701647301 + 14.2349057947620 split increased to 2 itime 864734 + itsplit 1 + acceleration/energy drift too large 6.30306667302373 + 19.4690950459115 split increased to 2 itime 868328 + itsplit 1 + acceleration/energy drift too large 3.17746244824330 + 10.5385535492896 split increased to 2 itime 868785 + itsplit 1 + acceleration/energy drift too large 2.88701041329839 + 10.0650233930427 split increased to 2 itime 868816 + itsplit 1 + acceleration/energy drift too large 2.88597847216602 + 10.4353554435539 split increased to 2 itime 868878 + itsplit 1 + acceleration/energy drift too large 2.66208260031996 + 10.3756083999508 split increased to 2 itime 868992 + itsplit 1 + acceleration/energy drift too large 3.84052652351550 + 11.5376282082245 split increased to 2 itime 869006 + itsplit 1 + acceleration/energy drift too large 5.24811610152903 + 16.0725220913960 split increased to 2 itime 872858 + itsplit 1 + acceleration/energy drift too large 2.04415916115678 + 11.6000945265094 split increased to 2 itime 876626 + itsplit 1 + acceleration/energy drift too large 4.91667573608756 + 12.2529460280596 split increased to 2 itime 876696 + itsplit 1 + acceleration/energy drift too large 1.98464299693557 + 12.3672973239493 split increased to 2 itime 880220 + itsplit 1 + acceleration/energy drift too large 4.49269347994387 + 10.9164515956942 split increased to 2 itime 882114 + itsplit 1 + acceleration/energy drift too large 3.50691198966475 + 12.2192361034298 split increased to 2 itime 882641 + itsplit 1 + acceleration/energy drift too large 4.67092628161820 + 31.4015659810878 split increased to 2 itime 882749 + itsplit 1 + acceleration/energy drift too large 3.60048047862597 + 14.2560887791626 split increased to 2 itime 883142 + itsplit 1 + acceleration/energy drift too large 5.02588008943109 + 13.8107970171059 split increased to 2 itime 883587 + itsplit 1 + acceleration/energy drift too large 4.59667298918522 + 10.3093389718401 split increased to 2 itime 884011 + itsplit 1 + acceleration/energy drift too large 5.08063823468998 + 16.4090970757056 split increased to 2 itime 884446 + itsplit 1 + acceleration/energy drift too large 4.41398440161052 + 12.8057265597627 split increased to 2 itime 887915 + itsplit 1 + acceleration/energy drift too large 6.51304699074663 + 30.8992725213926 split increased to 2 itime 888333 + itsplit 1 + acceleration/energy drift too large 2.32735689444735 + 12.6728165379389 split increased to 2 itime 890090 + itsplit 1 + acceleration/energy drift too large 5.74306766095227 + 21.6139261527122 split increased to 2 itime 893159 + itsplit 1 + acceleration/energy drift too large 4.31719594275417 + 15.1223402059815 split increased to 2 itime 893596 + itsplit 1 + acceleration/energy drift too large 7.13433176598262 + 16.3572986251761 split increased to 2 itime 893901 + itsplit 1 + acceleration/energy drift too large 2.39688308186256 + 13.2961484492678 split increased to 2 itime 895579 + itsplit 1 + acceleration/energy drift too large 3.99835623740062 + 11.7749312853083 split increased to 2 itime 895583 + itsplit 1 + acceleration/energy drift too large 3.04375529760310 + 10.3665733729487 split increased to 2 itime 895624 + itsplit 1 + acceleration/energy drift too large 2.11992299941375 + 10.6935992947726 split increased to 2 itime 895872 + itsplit 1 + acceleration/energy drift too large 3.81521778771810 + 22.9153789837453 split increased to 2 itime 897065 + itsplit 1 + REMD synchro at 900000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 356.390625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.22222 9 +ACC 2 260.00000 0.77778 9 +ACC 3 270.00000 0.44444 9 +ACC 4 280.00000 0.33333 9 +ACC 5 290.00000 0.55556 9 +ACC 6 300.00000 0.88889 9 +ACC 7 310.00000 0.55556 9 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 6.57808466903543 + 14.2966236603601 split increased to 2 itime 900512 + itsplit 1 + acceleration/energy drift too large 2.59229150258786 + 10.4080798753601 split increased to 2 itime 901350 + itsplit 1 + acceleration/energy drift too large 7.69125874110519 + 23.7007796428610 split increased to 2 itime 902572 + itsplit 1 + acceleration/energy drift too large 3.21110129327291 + 10.0423126070215 split increased to 2 itime 903784 + itsplit 1 + acceleration/energy drift too large 12.3085257846634 + 55.2456446465172 split increased to 2 itime 905864 + itsplit 1 + acceleration/energy drift too large 4.52591552115366 + 14.1527736760797 split increased to 2 itime 907361 + itsplit 1 + acceleration/energy drift too large 1.99420534523600 + 11.8715454235411 split increased to 2 itime 908938 + itsplit 1 + acceleration/energy drift too large 2.84991716936482 + 11.5679143197226 split increased to 2 itime 909045 + itsplit 1 + acceleration/energy drift too large 2.53446373565771 + 11.3900046128801 split increased to 2 itime 909053 + itsplit 1 + acceleration/energy drift too large 5.62223323930956 + 17.2458777836118 split increased to 2 itime 910736 + itsplit 1 + acceleration/energy drift too large 2.50303839568308 + 10.0124697161464 split increased to 2 itime 913252 + itsplit 1 + acceleration/energy drift too large 9.53925841058432 + 23.8317261527347 split increased to 2 itime 914590 + itsplit 1 + acceleration/energy drift too large 7.33635983353724 + 19.8127222755395 split increased to 2 itime 915005 + itsplit 1 + acceleration/energy drift too large 3.48151431215448 + 11.2218821811313 split increased to 2 itime 915007 + itsplit 1 + acceleration/energy drift too large 4.10632542294466 + 13.0497696370744 split increased to 2 itime 915022 + itsplit 1 + acceleration/energy drift too large 9.78569117524985 + 51.4740864589150 split increased to 2 itime 915241 + itsplit 1 + acceleration/energy drift too large 6.82349686974094 + 11.6662522868597 split increased to 2 itime 916490 + itsplit 1 + acceleration/energy drift too large 2.74022016143286 + 10.1010455244959 split increased to 2 itime 917947 + itsplit 1 + acceleration/energy drift too large 2.94194580192428 + 10.5895677935487 split increased to 2 itime 917971 + itsplit 1 + acceleration/energy drift too large 2.82987203862736 + 11.7440458452996 split increased to 2 itime 918684 + itsplit 1 + acceleration/energy drift too large 3.00173322785880 + 25.0402825339256 split increased to 2 itime 919194 + itsplit 1 + acceleration/energy drift too large 2.99244821271598 + 11.0034601559579 split increased to 2 itime 919201 + itsplit 1 + acceleration/energy drift too large 6.02766240115596 + 14.8292955735467 split increased to 2 itime 919207 + itsplit 1 + acceleration/energy drift too large 3.63575502704983 + 11.6958101490394 split increased to 2 itime 919269 + itsplit 1 + acceleration/energy drift too large 9.55824968091900 + 45.0413460650973 split increased to 2 itime 922102 + itsplit 1 + acceleration/energy drift too large 5.50561610467060 + 12.6180871997014 split increased to 2 itime 923657 + itsplit 1 + acceleration/energy drift too large 3.67059804217777 + 10.6979141333425 split increased to 2 itime 926714 + itsplit 1 + acceleration/energy drift too large 2.87037855157929 + 11.0114182279410 split increased to 2 itime 926960 + itsplit 1 + acceleration/energy drift too large 3.83599108776069 + 10.6136638404860 split increased to 2 itime 926966 + itsplit 1 + acceleration/energy drift too large 3.87514699109772 + 11.0254533115330 split increased to 2 itime 926970 + itsplit 1 + acceleration/energy drift too large 3.06859856212539 + 12.6944728423738 split increased to 2 itime 926972 + itsplit 1 + acceleration/energy drift too large 3.46351253852467 + 10.2494671797253 split increased to 2 itime 926973 + itsplit 1 + acceleration/energy drift too large 3.41444583137636 + 10.5729581975494 split increased to 2 itime 926976 + itsplit 1 + acceleration/energy drift too large 5.21210460392176 + 13.1796326048392 split increased to 2 itime 926978 + itsplit 1 + acceleration/energy drift too large 3.65983122892536 + 26.9572238171532 split increased to 2 itime 926979 + itsplit 1 + acceleration/energy drift too large 2.47157881740424 + 10.2678318520229 split increased to 2 itime 926981 + itsplit 1 + acceleration/energy drift too large 2.85645612421451 + 10.9145414840742 split increased to 2 itime 926990 + itsplit 1 + acceleration/energy drift too large 3.15608449228603 + 13.0220703611050 split increased to 2 itime 926996 + itsplit 1 + acceleration/energy drift too large 3.82571307812826 + 10.8922793852159 split increased to 2 itime 927000 + itsplit 1 + acceleration/energy drift too large 2.27942364753828 + 13.7694575846206 split increased to 2 itime 927008 + itsplit 1 + acceleration/energy drift too large 3.09016258161837 + 16.5599521943510 split increased to 2 itime 927009 + itsplit 1 + acceleration/energy drift too large 3.18421294728376 + 10.0454781191284 split increased to 2 itime 927015 + itsplit 1 + acceleration/energy drift too large 2.70969727357187 + 15.5925461600440 split increased to 2 itime 927018 + itsplit 1 + acceleration/energy drift too large 2.88282001617242 + 14.1283319381754 split increased to 2 itime 927019 + itsplit 1 + acceleration/energy drift too large 3.45495914637524 + 10.2673275171171 split increased to 2 itime 927034 + itsplit 1 + acceleration/energy drift too large 2.50607075740897 + 10.9243714819508 split increased to 2 itime 927083 + itsplit 1 + acceleration/energy drift too large 3.75318427236537 + 10.2977764810336 split increased to 2 itime 927178 + itsplit 1 + acceleration/energy drift too large 2.71375807232855 + 17.9366836908205 split increased to 2 itime 927179 + itsplit 1 + acceleration/energy drift too large 3.69770394815231 + 12.1854056584926 split increased to 2 itime 927196 + itsplit 1 + acceleration/energy drift too large 1.99682977481860 + 14.1522017669013 split increased to 2 itime 927202 + itsplit 1 + acceleration/energy drift too large 5.54698662007708 + 10.3967947650435 split increased to 2 itime 927206 + itsplit 1 + acceleration/energy drift too large 2.70288862979091 + 12.3910446374871 split increased to 2 itime 927207 + itsplit 1 + acceleration/energy drift too large 3.37223749022815 + 12.5286667840265 split increased to 2 itime 927214 + itsplit 1 + acceleration/energy drift too large 3.55972287078091 + 12.2018193165741 split increased to 2 itime 927235 + itsplit 1 + acceleration/energy drift too large 2.76073460283047 + 10.1915918099292 split increased to 2 itime 927284 + itsplit 1 + acceleration/energy drift too large 4.05274610413843 + 10.0991188694881 split increased to 2 itime 933738 + itsplit 1 + acceleration/energy drift too large 5.23977091259578 + 12.4834656884951 split increased to 2 itime 933995 + itsplit 1 + acceleration/energy drift too large 3.25498406440961 + 10.3007320458467 split increased to 2 itime 938250 + itsplit 1 + acceleration/energy drift too large 2.94304604625915 + 12.2444726278912 split increased to 2 itime 938253 + itsplit 1 + acceleration/energy drift too large 2.05798405881767 + 11.5002360879095 split increased to 2 itime 938328 + itsplit 1 + acceleration/energy drift too large 3.44964489780285 + 24.1476988477790 split increased to 2 itime 939850 + itsplit 1 + acceleration/energy drift too large 6.78885229817901 + 16.5900023799422 split increased to 2 itime 943471 + itsplit 1 + acceleration/energy drift too large 5.82678507210135 + 24.6340779037091 split increased to 2 itime 944680 + itsplit 1 + acceleration/energy drift too large 5.18940440922303 + 12.7007904037800 split increased to 2 itime 945498 + itsplit 1 + acceleration/energy drift too large 5.35428437652620 + 11.7535133734239 split increased to 2 itime 950427 + itsplit 1 + acceleration/energy drift too large 4.55162592862716 + 10.8719958973851 split increased to 2 itime 951077 + itsplit 1 + acceleration/energy drift too large 6.38147579821281 + 25.5401187665015 split increased to 2 itime 951175 + itsplit 1 + acceleration/energy drift too large 4.26729194647760 + 10.1537846942208 split increased to 2 itime 951259 + itsplit 1 + acceleration/energy drift too large 4.76878350078769 + 11.6116472107122 split increased to 2 itime 951754 + itsplit 1 + acceleration/energy drift too large 8.77958285185338 + 30.4534713706681 split increased to 2 itime 952778 + itsplit 1 + acceleration/energy drift too large 3.56125187587214 + 10.3168465365286 split increased to 2 itime 953676 + itsplit 1 + acceleration/energy drift too large 3.81612277478126 + 10.1488231153088 split increased to 2 itime 953683 + itsplit 1 + acceleration/energy drift too large 3.33931536850662 + 10.5224166868613 split increased to 2 itime 954051 + itsplit 1 + acceleration/energy drift too large 5.39546570956672 + 10.2259661090390 split increased to 2 itime 954168 + itsplit 1 + acceleration/energy drift too large 5.01868309144268 + 12.2560169529860 split increased to 2 itime 954247 + itsplit 1 + acceleration/energy drift too large 2.88496402964613 + 10.3921477842572 split increased to 2 itime 954789 + itsplit 1 + acceleration/energy drift too large 2.54908704555533 + 10.5976018513555 split increased to 2 itime 954818 + itsplit 1 + acceleration/energy drift too large 2.98289557057861 + 10.6346457535264 split increased to 2 itime 954825 + itsplit 1 + acceleration/energy drift too large 3.31385324987540 + 10.6927502609962 split increased to 2 itime 956021 + itsplit 1 + acceleration/energy drift too large 5.82454924506218 + 10.3506060040066 split increased to 2 itime 958958 + itsplit 1 + acceleration/energy drift too large 7.90187303128310 + 24.0423129854359 split increased to 2 itime 959066 + itsplit 1 + acceleration/energy drift too large 4.84078628479393 + 10.8721029701479 split increased to 2 itime 959950 + itsplit 1 + acceleration/energy drift too large 5.38140146381624 + 12.0821188629450 split increased to 2 itime 960750 + itsplit 1 + acceleration/energy drift too large 2.45200560225983 + 12.2138919788738 split increased to 2 itime 963598 + itsplit 1 + acceleration/energy drift too large 4.80829251553583 + 18.0786950351927 split increased to 2 itime 964756 + itsplit 1 + acceleration/energy drift too large 1.92684696104599 + 14.3225498468162 split increased to 2 itime 965005 + itsplit 1 + acceleration/energy drift too large 3.38051856673097 + 13.5164443579456 split increased to 2 itime 966501 + itsplit 1 + acceleration/energy drift too large 5.02392232851096 + 18.2014384280205 split increased to 2 itime 968651 + itsplit 1 + acceleration/energy drift too large 10.8939133147482 + 37.9792756831615 split increased to 2 itime 969921 + itsplit 1 + acceleration/energy drift too large 6.25537857545006 + 15.7930940357674 split increased to 2 itime 973435 + itsplit 1 + acceleration/energy drift too large 4.95303977839136 + 10.3895854620251 split increased to 2 itime 975524 + itsplit 1 + acceleration/energy drift too large 4.43505836691903 + 12.4499447625922 split increased to 2 itime 976936 + itsplit 1 + acceleration/energy drift too large 2.22395266345729 + 10.3183961405875 split increased to 2 itime 977785 + itsplit 1 + acceleration/energy drift too large 7.38517455742916 + 13.7375899126670 split increased to 2 itime 979097 + itsplit 1 + acceleration/energy drift too large 5.42766800882002 + 11.3746794397026 split increased to 2 itime 979138 + itsplit 1 + acceleration/energy drift too large 4.69477900799110 + 13.9855929730825 split increased to 2 itime 980937 + itsplit 1 + acceleration/energy drift too large 4.56709827410279 + 12.2866018672929 split increased to 2 itime 981082 + itsplit 1 + acceleration/energy drift too large 4.22843662737844 + 15.9986236576054 split increased to 2 itime 983446 + itsplit 1 + acceleration/energy drift too large 7.28503729750069 + 28.0900437565608 split increased to 2 itime 988502 + itsplit 1 + acceleration/energy drift too large 3.09892815129042 + 13.1677379200501 split increased to 2 itime 989161 + itsplit 1 + acceleration/energy drift too large 5.02723350945619 + 14.2627980639176 split increased to 2 itime 990132 + itsplit 1 + acceleration/energy drift too large 3.62203937128740 + 20.0320284014358 split increased to 2 itime 990751 + itsplit 1 + acceleration/energy drift too large 4.42295413564357 + 10.6714381752827 split increased to 2 itime 992731 + itsplit 1 + acceleration/energy drift too large 7.57497282303292 + 17.6580167906195 split increased to 2 itime 993382 + itsplit 1 + acceleration/energy drift too large 3.78003912651920 + 10.2318302682778 split increased to 2 itime 994149 + itsplit 1 + acceleration/energy drift too large 1.70558181148873 + 11.2124394008163 split increased to 2 itime 996592 + itsplit 1 + acceleration/energy drift too large 1.98152789335267 + 10.0315596865563 split increased to 2 itime 998563 + itsplit 1 + acceleration/energy drift too large 3.31628517915314 + 23.0713856251341 split increased to 2 itime 999178 + itsplit 1 + acceleration/energy drift too large 7.41509555887398 + 28.0813685506388 split increased to 2 itime 999369 + itsplit 1 + REMD synchro at 1000000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + writing restart at the end of run + + +=================================== Timing =================================== + + MD calculations setup: 1.56250E-02 + Energy & gradient evaluation: 3.36891E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.96145E+02 + + +============================ End of MD calculation =========================== +CG processor 0 is finishing work. + Total wall clock time 396.207031250000 sec