X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMREMD%2Fff_gab%2Foutputs%2F1L2Y_MREMD.out_GB000;fp=examples%2Funres%2FMREMD%2Fff_gab%2Foutputs%2F1L2Y_MREMD.out_GB000;h=67751a66c360519275376bae3a36d3b3308b78b4;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 new file mode 100644 index 0000000..67751a6 --- /dev/null +++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 @@ -0,0 +1,2770 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1L2Y_MREMD.inp + Output file : 1L2Y_MREMD.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 +Berendsen bath calculation + Temperature: 300.00000 + Coupling constant (tau): 1.00000 +Momenta will be reset at zero every 1000 steps +Velocities will be reset at random every 10000 steps + +============================== 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 2 2 2 2 2 2 + 2 2 2 2 2 2 + 2 2 2 2 + Total number of replicas 32 + +============================== 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 2.343750000000000E-002 + NREP= 16 + i2rep 1 1 2 2 3 3 4 4 + i2set 1 1 1 1 1 1 1 1 + i,j,il,il1,i_index(i,j,il,il1) +ifirst 1 2 + nupa 1: 3 4 +ndowna 1: + nupa 2: 3 4 +ndowna 2: + nupa 3: 5 6 +ndowna 3: 1 2 + nupa 4: 5 6 +ndowna 4: 1 2 + nupa 5: 7 8 +ndowna 5: 3 4 + nupa 6: 7 8 +ndowna 6: 3 4 + nupa 7: 9 10 +ndowna 7: 5 6 + nupa 8: 9 10 +ndowna 8: 5 6 + 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 3.515625000000000E-002 + acceleration/energy drift too large 5.52096223627373 + 30.2576481198290 split increased to 2 itime 776 + itsplit 1 + acceleration/energy drift too large 6.12996191669062 + 32.7489836221582 split increased to 2 itime 1557 + itsplit 1 + acceleration/energy drift too large 1.61312447719228 + 12.8203730755910 split increased to 2 itime 1558 + itsplit 1 + acceleration/energy drift too large 4.83988204146452 + 26.1575411467794 split increased to 2 itime 1882 + itsplit 1 + acceleration/energy drift too large 5.31757823843249 + 12.4132005220493 split increased to 2 itime 2744 + itsplit 1 + acceleration/energy drift too large 7.48441836177942 + 25.8427082755808 split increased to 2 itime 2746 + itsplit 1 + acceleration/energy drift too large 5.35377496364137 + 20.9663754072443 split increased to 2 itime 3003 + itsplit 1 + acceleration/energy drift too large 5.50794024693835 + 25.0973051653464 split increased to 2 itime 3683 + itsplit 1 + acceleration/energy drift too large 3.93695275049900 + 14.1563168146069 split increased to 2 itime 4070 + itsplit 1 + acceleration/energy drift too large 3.16855002137921 + 10.4425934720914 split increased to 2 itime 4336 + itsplit 1 + acceleration/energy drift too large 3.76534924891489 + 12.4403582429723 split increased to 2 itime 4387 + itsplit 1 + acceleration/energy drift too large 7.02374296836291 + 22.3132100132628 split increased to 2 itime 4920 + itsplit 1 + acceleration/energy drift too large 5.35765520601897 + 17.1331535005298 split increased to 2 itime 6240 + itsplit 1 + acceleration/energy drift too large 5.53265707247039 + 13.2880826398223 split increased to 2 itime 6938 + itsplit 1 + acceleration/energy drift too large 1.84195209388677 + 11.3077078270368 split increased to 2 itime 7633 + itsplit 1 + acceleration/energy drift too large 11.2547094213224 + 43.6487677599973 split increased to 2 itime 7655 + itsplit 1 + acceleration/energy drift too large 2.43312411510038 + 11.0394351026467 split increased to 2 itime 7656 + itsplit 1 + acceleration/energy drift too large 4.81803111291750 + 21.0032130702992 split increased to 2 itime 8920 + itsplit 1 + acceleration/energy drift too large 4.07939616361409 + 10.0790452176611 split increased to 2 itime 9380 + itsplit 1 +Velocities reset to random values, time 1999.80 + acceleration/energy drift too large 6.66418420870744 + 21.5938845286491 split increased to 2 itime 10016 + itsplit 1 + acceleration/energy drift too large 3.68095200707226 + 15.5586218340265 split increased to 2 itime 10666 + itsplit 1 + acceleration/energy drift too large 5.90599793572996 + 13.0354665280818 split increased to 2 itime 11486 + itsplit 1 + acceleration/energy drift too large 10.9724591435648 + 74.4265540758012 split increased to 2 itime 14539 + itsplit 1 + acceleration/energy drift too large 2.71641283601661 + 12.1179379049655 split increased to 2 itime 14939 + itsplit 1 +Velocities reset to random values, time 3999.80 + acceleration/energy drift too large 10.3473093872846 + 34.5543008831488 split increased to 2 itime 21143 + itsplit 1 + acceleration/energy drift too large 4.68050809807107 + 14.9223730931786 split increased to 2 itime 22069 + itsplit 1 + acceleration/energy drift too large 2.18059890033971 + 10.4944818570833 split increased to 2 itime 24403 + itsplit 1 + acceleration/energy drift too large 4.67257083293288 + 13.5113109246212 split increased to 2 itime 26612 + itsplit 1 + acceleration/energy drift too large 3.99957559021391 + 11.1625010410242 split increased to 2 itime 27854 + itsplit 1 + acceleration/energy drift too large 2.91621212795126 + 10.0823093572567 split increased to 2 itime 28931 + itsplit 1 +Velocities reset to random values, time 5999.80 + acceleration/energy drift too large 4.42898215413087 + 13.4608010060474 split increased to 2 itime 30695 + itsplit 1 + acceleration/energy drift too large 6.94379103724230 + 12.6426713865156 split increased to 2 itime 31253 + itsplit 1 + acceleration/energy drift too large 4.62747477734365 + 11.5083593947958 split increased to 2 itime 34085 + itsplit 1 + acceleration/energy drift too large 4.68897141839130 + 13.8326552337759 split increased to 2 itime 35096 + itsplit 1 + acceleration/energy drift too large 5.97103225143252 + 16.8958878466461 split increased to 2 itime 36427 + itsplit 1 + acceleration/energy drift too large 2.83361041343637 + 10.1870138704729 split increased to 2 itime 38962 + itsplit 1 + acceleration/energy drift too large 5.43761141917189 + 28.6215916436732 split increased to 2 itime 39573 + itsplit 1 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 6.71618202835124 + 21.8484426773590 split increased to 2 itime 40048 + itsplit 1 + acceleration/energy drift too large 4.78839206313862 + 11.3186039976041 split increased to 2 itime 44667 + itsplit 1 + acceleration/energy drift too large 5.61549338972115 + 13.7712955586614 split increased to 2 itime 45584 + itsplit 1 + acceleration/energy drift too large 4.88112923518931 + 18.1839033671836 split increased to 2 itime 47542 + itsplit 1 + acceleration/energy drift too large 4.18508498426990 + 12.0984587147884 split increased to 2 itime 49978 + itsplit 1 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.75712658213339 + 12.8868383152177 split increased to 2 itime 53072 + itsplit 1 + acceleration/energy drift too large 3.47876306053008 + 13.5970323416962 split increased to 2 itime 53659 + itsplit 1 + acceleration/energy drift too large 12.5497073475896 + 59.5476242197771 split increased to 2 itime 54295 + itsplit 1 + acceleration/energy drift too large 2.79298033614550 + 14.6471800667417 split increased to 2 itime 55902 + itsplit 1 + acceleration/energy drift too large 5.69793261864804 + 29.8524758090115 split increased to 2 itime 56302 + itsplit 1 + acceleration/energy drift too large 3.99009589011978 + 11.5529703605789 split increased to 2 itime 56569 + itsplit 1 + acceleration/energy drift too large 10.3352019178341 + 47.4155341563090 split increased to 2 itime 57296 + itsplit 1 + acceleration/energy drift too large 5.20266465897687 + 25.8988823584993 split increased to 2 itime 57497 + itsplit 1 + acceleration/energy drift too large 4.11983845869502 + 12.3783760780201 split increased to 2 itime 59062 + itsplit 1 + acceleration/energy drift too large 11.9920958913642 + 50.6698470165182 split increased to 2 itime 59118 + itsplit 1 + acceleration/energy drift too large 3.61921495016199 + 21.0327786523077 split increased to 4 itime 59118 + itsplit 1 + acceleration/energy drift too large 3.79669885939645 + 27.9339931572120 split increased to 2 itime 59398 + itsplit 1 + acceleration/energy drift too large 2.77673368418901 + 15.6216150622078 split increased to 2 itime 59734 + itsplit 1 +Velocities reset to random values, time 11999.80 + acceleration/energy drift too large 11.6977569997741 + 63.2873247084235 split increased to 2 itime 61205 + itsplit 1 + acceleration/energy drift too large 2.46975302483821 + 11.7868981408189 split increased to 4 itime 61205 + itsplit 2 + acceleration/energy drift too large 4.53441825631752 + 10.9190885782135 split increased to 2 itime 61359 + itsplit 1 + acceleration/energy drift too large 4.86699382584374 + 17.0301858457051 split increased to 2 itime 61727 + itsplit 1 + acceleration/energy drift too large 9.80988749733368 + 42.3732888734135 split increased to 2 itime 62697 + itsplit 1 + acceleration/energy drift too large 7.85116578210938 + 35.9930639017263 split increased to 2 itime 66455 + itsplit 1 + acceleration/energy drift too large 4.60912609144356 + 19.3357209928814 split increased to 2 itime 69220 + itsplit 1 +Velocities reset to random values, time 13999.80 + acceleration/energy drift too large 4.55975676190419 + 24.4710192583568 split increased to 2 itime 70260 + itsplit 1 + acceleration/energy drift too large 7.80846468417423 + 40.3800904563876 split increased to 2 itime 70553 + itsplit 1 + acceleration/energy drift too large 3.64034174015583 + 11.1920434422640 split increased to 2 itime 70723 + itsplit 1 + acceleration/energy drift too large 6.41647323325635 + 17.9807285521450 split increased to 2 itime 73456 + itsplit 1 + acceleration/energy drift too large 5.47215788047627 + 12.4059118011065 split increased to 2 itime 75099 + itsplit 1 + acceleration/energy drift too large 4.51710859123275 + 27.8246337959767 split increased to 2 itime 76406 + itsplit 1 + acceleration/energy drift too large 4.73984297887243 + 14.9194988064925 split increased to 2 itime 76872 + itsplit 1 + acceleration/energy drift too large 6.00920853395200 + 16.1779705288285 split increased to 2 itime 77735 + itsplit 1 + acceleration/energy drift too large 5.99517005323580 + 13.5412080404750 split increased to 2 itime 78579 + itsplit 1 + acceleration/energy drift too large 4.09979171532423 + 11.1189570526687 split increased to 2 itime 78581 + itsplit 1 + acceleration/energy drift too large 4.60921688688787 + 14.6775966561977 split increased to 2 itime 78740 + itsplit 1 + acceleration/energy drift too large 3.73747665057647 + 11.0307445827144 split increased to 2 itime 78959 + itsplit 1 + acceleration/energy drift too large 5.65573169060239 + 18.0894782004693 split increased to 2 itime 79329 + itsplit 1 + acceleration/energy drift too large 2.79813940370635 + 11.3110696771280 split increased to 2 itime 79740 + itsplit 1 + acceleration/energy drift too large 6.86540355807712 + 32.0187502316872 split increased to 2 itime 79913 + itsplit 1 +Velocities reset to random values, time 15999.80 + acceleration/energy drift too large 7.16413888935177 + 19.9345951368944 split increased to 2 itime 81293 + itsplit 1 + acceleration/energy drift too large 5.27812212634208 + 10.2693135846209 split increased to 2 itime 82876 + itsplit 1 + acceleration/energy drift too large 11.9363698049352 + 59.3189559290204 split increased to 2 itime 83141 + itsplit 1 + acceleration/energy drift too large 6.14705387814686 + 11.0648999977016 split increased to 2 itime 85055 + itsplit 1 + acceleration/energy drift too large 3.52652014997376 + 12.1125084506798 split increased to 2 itime 88885 + itsplit 1 + acceleration/energy drift too large 3.31124587517360 + 27.8877432233392 split increased to 2 itime 89949 + itsplit 1 +Velocities reset to random values, time 17999.80 + acceleration/energy drift too large 4.24485277081510 + 10.2516723831682 split increased to 2 itime 95709 + itsplit 1 + acceleration/energy drift too large 5.97480262204672 + 17.4683720416003 split increased to 2 itime 98117 + itsplit 1 + acceleration/energy drift too large 5.91600565384317 + 18.3171449176164 split increased to 2 itime 99745 + itsplit 1 +Velocities reset to random values, time 19999.80 + REMD synchro at 100000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 35.4414062500000 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 0.00000 2 +ACC 4 280.00000 0.66667 3 + REMD scatter time= 3.906250000000000E-003 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 4.17934371249592 + 10.2087980556613 split increased to 2 itime 101423 + itsplit 1 + acceleration/energy drift too large 6.71902465393580 + 21.3954448227706 split increased to 2 itime 103088 + itsplit 1 + acceleration/energy drift too large 4.14212052145930 + 10.2477771121734 split increased to 2 itime 103265 + itsplit 1 + acceleration/energy drift too large 2.86270849799843 + 16.9928188701110 split increased to 2 itime 106414 + itsplit 1 + acceleration/energy drift too large 4.53177559730538 + 11.4104194143493 split increased to 2 itime 106443 + itsplit 1 + acceleration/energy drift too large 4.18378287308024 + 14.5005011242331 split increased to 2 itime 108779 + itsplit 1 + acceleration/energy drift too large 3.22598315055832 + 12.6610528117019 split increased to 2 itime 108794 + itsplit 1 + acceleration/energy drift too large 6.46842098075620 + 29.2446490055127 split increased to 2 itime 109179 + itsplit 1 + acceleration/energy drift too large 7.33198987418711 + 23.8784665864745 split increased to 2 itime 109588 + itsplit 1 +Velocities reset to random values, time 21999.80 + acceleration/energy drift too large 4.07483092898370 + 15.2316275058643 split increased to 2 itime 110279 + itsplit 1 + acceleration/energy drift too large 3.64692400598470 + 10.6619934251008 split increased to 2 itime 111456 + itsplit 1 + acceleration/energy drift too large 3.85390369821382 + 11.3062549687424 split increased to 2 itime 111457 + itsplit 1 + acceleration/energy drift too large 2.65446013571373 + 11.8140462542025 split increased to 2 itime 111574 + itsplit 1 + acceleration/energy drift too large 9.77762972964267 + 38.7168616272138 split increased to 2 itime 111946 + itsplit 1 + acceleration/energy drift too large 4.06646189192008 + 12.7941443273696 split increased to 2 itime 112101 + itsplit 1 + acceleration/energy drift too large 2.30009977904337 + 14.5748776196732 split increased to 2 itime 112102 + itsplit 1 + acceleration/energy drift too large 3.11559314638457 + 12.3996567956483 split increased to 2 itime 112228 + itsplit 1 + acceleration/energy drift too large 6.42906592389302 + 20.5492049862529 split increased to 2 itime 112432 + itsplit 1 + acceleration/energy drift too large 5.05074993788673 + 19.5702738091324 split increased to 2 itime 115678 + itsplit 1 + acceleration/energy drift too large 4.73192607788806 + 11.6639262949098 split increased to 2 itime 118201 + itsplit 1 + acceleration/energy drift too large 9.82798207139148 + 44.0083892371179 split increased to 2 itime 119150 + itsplit 1 +Velocities reset to random values, time 23999.80 + acceleration/energy drift too large 9.35182898270605 + 30.7529040551124 split increased to 2 itime 120084 + itsplit 1 + acceleration/energy drift too large 6.47454305264028 + 14.1597663554861 split increased to 2 itime 120767 + itsplit 1 + acceleration/energy drift too large 5.75121475895426 + 31.5126053812392 split increased to 2 itime 121530 + itsplit 1 + acceleration/energy drift too large 5.85269657458831 + 14.6075456348999 split increased to 2 itime 121942 + itsplit 1 + acceleration/energy drift too large 3.54090402384738 + 13.1407731639353 split increased to 2 itime 124371 + itsplit 1 + acceleration/energy drift too large 10.3331096918765 + 52.5133480143010 split increased to 2 itime 129714 + itsplit 1 +Velocities reset to random values, time 25999.80 + acceleration/energy drift too large 6.69684407284877 + 25.0759133399658 split increased to 2 itime 131813 + itsplit 1 + acceleration/energy drift too large 4.38307762532523 + 18.1062353093105 split increased to 2 itime 132199 + itsplit 1 + acceleration/energy drift too large 5.29885510902833 + 38.0704093150957 split increased to 2 itime 132622 + itsplit 1 + acceleration/energy drift too large 2.85438260830311 + 18.7164314768521 split increased to 2 itime 133181 + itsplit 1 + acceleration/energy drift too large 10.5920897391894 + 70.2904279693642 split increased to 2 itime 135874 + itsplit 1 + acceleration/energy drift too large 7.46036615847225 + 32.6234626144527 split increased to 2 itime 137718 + itsplit 1 + acceleration/energy drift too large 1.31915869612610 + 11.2994888049436 split increased to 2 itime 138847 + itsplit 1 + acceleration/energy drift too large 6.86981840972510 + 16.3256220950550 split increased to 2 itime 139281 + itsplit 1 + acceleration/energy drift too large 6.86293127945009 + 34.8138590523399 split increased to 2 itime 139581 + itsplit 1 + acceleration/energy drift too large 9.12960252436226 + 51.9124205480618 split increased to 2 itime 139819 + itsplit 1 +Velocities reset to random values, time 27999.80 + acceleration/energy drift too large 2.94586804262428 + 14.1306372950158 split increased to 2 itime 143428 + itsplit 1 + acceleration/energy drift too large 6.04696930269584 + 26.2326220057806 split increased to 2 itime 143768 + itsplit 1 + acceleration/energy drift too large 3.44034274144510 + 10.8241372684479 split increased to 2 itime 144553 + itsplit 1 + acceleration/energy drift too large 4.40005254877327 + 11.7661551075243 split increased to 2 itime 146748 + itsplit 1 + acceleration/energy drift too large 8.22483430917424 + 12.4598072810491 split increased to 2 itime 149088 + itsplit 1 + acceleration/energy drift too large 7.52857273732077 + 31.3343094644287 split increased to 2 itime 149360 + itsplit 1 +Velocities reset to random values, time 29999.80 + acceleration/energy drift too large 4.69526830624144 + 15.9496877155323 split increased to 2 itime 150685 + itsplit 1 + acceleration/energy drift too large 4.89342691578421 + 16.2827823201418 split increased to 2 itime 153494 + itsplit 1 + acceleration/energy drift too large 10.1167166229062 + 46.4257434770403 split increased to 2 itime 158250 + itsplit 1 +Velocities reset to random values, time 31999.80 + acceleration/energy drift too large 2.90266792832498 + 16.1653405369373 split increased to 2 itime 161880 + itsplit 1 + acceleration/energy drift too large 6.16955865188669 + 18.4227137691214 split increased to 2 itime 162403 + itsplit 1 + acceleration/energy drift too large 3.40339172296479 + 14.5641070801041 split increased to 2 itime 163702 + itsplit 1 + acceleration/energy drift too large 1.42116937979120 + 10.5515496250852 split increased to 2 itime 165091 + itsplit 1 + acceleration/energy drift too large 2.50032822556853 + 14.6682160146179 split increased to 2 itime 166460 + itsplit 1 +Velocities reset to random values, time 33999.80 + acceleration/energy drift too large 11.2676088599452 + 55.0268225107134 split increased to 2 itime 170845 + itsplit 1 + acceleration/energy drift too large 10.0584492935131 + 48.1950278987103 split increased to 2 itime 173044 + itsplit 1 + acceleration/energy drift too large 4.06800375548260 + 11.4104907706019 split increased to 2 itime 173300 + itsplit 1 + acceleration/energy drift too large 4.23811732793871 + 13.8587056078574 split increased to 2 itime 174142 + itsplit 1 + acceleration/energy drift too large 5.98240632587128 + 12.1728422710291 split increased to 2 itime 175337 + itsplit 1 + acceleration/energy drift too large 12.4001917299860 + 55.7579610310665 split increased to 2 itime 175903 + itsplit 1 + acceleration/energy drift too large 13.7138109000118 + 94.4108045050905 split increased to 2 itime 176224 + itsplit 1 + acceleration/energy drift too large 7.42152496537740 + 22.6618547705327 split increased to 2 itime 177374 + itsplit 1 + acceleration/energy drift too large 3.39518157926419 + 22.0998780473279 split increased to 2 itime 178172 + itsplit 1 +Velocities reset to random values, time 35999.80 + acceleration/energy drift too large 4.17087543730249 + 19.1089099539533 split increased to 2 itime 182982 + itsplit 1 + acceleration/energy drift too large 2.41383969428954 + 12.2915628180420 split increased to 2 itime 184614 + itsplit 1 + acceleration/energy drift too large 11.7026346117434 + 50.7215076469975 split increased to 2 itime 186959 + itsplit 1 + acceleration/energy drift too large 3.35109011360501 + 20.1971093192822 split increased to 4 itime 186959 + itsplit 1 + acceleration/energy drift too large 7.74370998880844 + 30.1808904020168 split increased to 2 itime 187322 + itsplit 1 + acceleration/energy drift too large 5.83905188213531 + 15.1514408498309 split increased to 2 itime 189748 + itsplit 1 + acceleration/energy drift too large 4.18612495616765 + 13.3494170031651 split increased to 2 itime 189829 + itsplit 1 +Velocities reset to random values, time 37999.80 + acceleration/energy drift too large 5.65450971213563 + 16.0492679051627 split increased to 2 itime 190385 + itsplit 1 + acceleration/energy drift too large 5.99788572869562 + 14.8470084380186 split increased to 2 itime 192152 + itsplit 1 + acceleration/energy drift too large 2.42266985844801 + 10.1890606959296 split increased to 2 itime 195046 + itsplit 1 + acceleration/energy drift too large 3.77678937362833 + 10.6782321260063 split increased to 2 itime 195522 + itsplit 1 + acceleration/energy drift too large 4.21858966366682 + 22.0878413973506 split increased to 2 itime 195622 + itsplit 1 + acceleration/energy drift too large 2.86907243915045 + 20.5047036681515 split increased to 2 itime 199601 + itsplit 1 +Velocities reset to random values, time 39999.80 + REMD synchro at 200000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 71.1054687500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.25000 4 +ACC 2 260.00000 0.75000 4 +ACC 3 270.00000 0.25000 4 +ACC 4 280.00000 0.60000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.16881736150626 + 11.6211029017173 split increased to 2 itime 202587 + itsplit 1 + acceleration/energy drift too large 8.22320456541727 + 30.3705855961487 split increased to 2 itime 202883 + itsplit 1 + acceleration/energy drift too large 10.2449186576237 + 52.4739186173176 split increased to 2 itime 204780 + itsplit 1 + acceleration/energy drift too large 5.70024482129038 + 17.1856329871537 split increased to 2 itime 205830 + itsplit 1 + acceleration/energy drift too large 7.27900715160537 + 22.2819930132078 split increased to 2 itime 206065 + itsplit 1 + acceleration/energy drift too large 2.51285686180645 + 11.8421875094489 split increased to 2 itime 206720 + itsplit 1 + acceleration/energy drift too large 6.42747083441139 + 13.2041832820959 split increased to 2 itime 209143 + itsplit 1 +Velocities reset to random values, time 41999.80 + acceleration/energy drift too large 10.9123416961225 + 46.5114458906699 split increased to 2 itime 213048 + itsplit 1 + acceleration/energy drift too large 6.60350217622471 + 12.8985249881525 split increased to 2 itime 213851 + itsplit 1 + acceleration/energy drift too large 5.36866243458460 + 15.2021030104828 split increased to 2 itime 214783 + itsplit 1 + acceleration/energy drift too large 6.54435622895922 + 12.2051670102381 split increased to 2 itime 215508 + itsplit 1 + acceleration/energy drift too large 6.32008944314661 + 21.0544655287285 split increased to 2 itime 219089 + itsplit 1 +Velocities reset to random values, time 43999.80 + acceleration/energy drift too large 5.22890361539869 + 20.7056821001058 split increased to 2 itime 222371 + itsplit 1 + acceleration/energy drift too large 5.59391136942500 + 11.4500798593686 split increased to 2 itime 223478 + itsplit 1 + acceleration/energy drift too large 5.77150787771130 + 24.8518616086383 split increased to 2 itime 229175 + itsplit 1 +Velocities reset to random values, time 45999.80 + acceleration/energy drift too large 5.73737565072782 + 19.1876737706425 split increased to 2 itime 230764 + itsplit 1 + acceleration/energy drift too large 5.29020896341819 + 19.9748904882164 split increased to 2 itime 234022 + itsplit 1 + acceleration/energy drift too large 4.33372838253363 + 18.4218149172096 split increased to 2 itime 234755 + itsplit 1 + acceleration/energy drift too large 5.19378510366194 + 17.4459855825311 split increased to 2 itime 236382 + itsplit 1 + acceleration/energy drift too large 6.88495807912893 + 33.0908934405284 split increased to 2 itime 237714 + itsplit 1 + acceleration/energy drift too large 2.62257468480003 + 12.4786925257212 split increased to 2 itime 237747 + itsplit 1 + acceleration/energy drift too large 7.38515821781302 + 26.9964527222263 split increased to 2 itime 239289 + itsplit 1 +Velocities reset to random values, time 47999.80 + acceleration/energy drift too large 3.87346544198130 + 10.7184631294462 split increased to 2 itime 244002 + itsplit 1 + acceleration/energy drift too large 7.19782539757248 + 23.1604823482505 split increased to 2 itime 245186 + itsplit 1 + acceleration/energy drift too large 2.63927590317688 + 11.2769628510729 split increased to 2 itime 246299 + itsplit 1 + acceleration/energy drift too large 3.95993347856653 + 12.9941278037519 split increased to 2 itime 246884 + itsplit 1 + acceleration/energy drift too large 3.75138061314166 + 16.1523068508057 split increased to 2 itime 247147 + itsplit 1 +Velocities reset to random values, time 49999.80 + acceleration/energy drift too large 2.41716028123349 + 11.9615216315768 split increased to 2 itime 250027 + itsplit 1 + acceleration/energy drift too large 5.61038686950059 + 19.2189311434819 split increased to 2 itime 252540 + itsplit 1 + acceleration/energy drift too large 10.7608195134490 + 54.1508956589706 split increased to 2 itime 253537 + itsplit 1 + acceleration/energy drift too large 5.35074089279080 + 16.5659967269322 split increased to 2 itime 253965 + itsplit 1 + acceleration/energy drift too large 4.32146540995298 + 11.1574002315605 split increased to 2 itime 255145 + itsplit 1 + acceleration/energy drift too large 7.08881474942714 + 21.9528411572390 split increased to 2 itime 257775 + itsplit 1 +Velocities reset to random values, time 51999.80 + acceleration/energy drift too large 10.1408200722849 + 50.3267262746123 split increased to 2 itime 262272 + itsplit 1 + acceleration/energy drift too large 14.0801114406264 + 80.7757625408016 split increased to 2 itime 264245 + itsplit 1 + acceleration/energy drift too large 8.27643433714730 + 30.0496912570776 split increased to 2 itime 264746 + itsplit 1 + acceleration/energy drift too large 7.70912445419297 + 23.8755892757933 split increased to 2 itime 265529 + itsplit 1 + acceleration/energy drift too large 2.58366349253077 + 14.2106649628383 split increased to 2 itime 266377 + itsplit 1 + acceleration/energy drift too large 2.54844966095662 + 10.0312605383654 split increased to 2 itime 266378 + itsplit 1 + acceleration/energy drift too large 1.87200382710572 + 15.9691862763909 split increased to 2 itime 266550 + itsplit 1 + acceleration/energy drift too large 2.11944822971283 + 10.5344238021568 split increased to 2 itime 267413 + itsplit 1 + acceleration/energy drift too large 6.06534504237479 + 25.1621696006685 split increased to 2 itime 267770 + itsplit 1 +Velocities reset to random values, time 53999.80 + acceleration/energy drift too large 2.47015319053648 + 14.2916974625748 split increased to 2 itime 270434 + itsplit 1 + acceleration/energy drift too large 5.98505566824517 + 15.4224749479059 split increased to 2 itime 271295 + itsplit 1 + acceleration/energy drift too large 6.80062035254884 + 30.7055153673426 split increased to 2 itime 271631 + itsplit 1 + acceleration/energy drift too large 4.31912564232714 + 11.1872069912410 split increased to 2 itime 271709 + itsplit 1 +Velocities reset to random values, time 55999.80 + acceleration/energy drift too large 8.09330085807051 + 31.5790050396434 split increased to 2 itime 280504 + itsplit 1 + acceleration/energy drift too large 5.26339357777589 + 13.1359035985485 split increased to 2 itime 282028 + itsplit 1 + acceleration/energy drift too large 6.17033536925067 + 24.2433112778017 split increased to 2 itime 284418 + itsplit 1 + acceleration/energy drift too large 3.81914782313567 + 11.1219668578769 split increased to 2 itime 286804 + itsplit 1 + acceleration/energy drift too large 8.17560121596226 + 29.4655118725900 split increased to 2 itime 288581 + itsplit 1 + acceleration/energy drift too large 6.22086484098395 + 17.5779309578201 split increased to 2 itime 289035 + itsplit 1 +Velocities reset to random values, time 57999.80 + acceleration/energy drift too large 5.27400121713009 + 11.4004243729492 split increased to 2 itime 290508 + itsplit 1 + acceleration/energy drift too large 11.9734582487957 + 78.0774137095788 split increased to 2 itime 293754 + itsplit 1 + acceleration/energy drift too large 3.52608872562150 + 28.3326988505369 split increased to 2 itime 293892 + itsplit 1 + acceleration/energy drift too large 2.10024895500591 + 15.0839684126750 split increased to 2 itime 299951 + itsplit 1 +Velocities reset to random values, time 59999.80 + REMD synchro at 300000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 106.812500000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 7.812500000000000E-003 + NREP 16 +ACC 1 250.00000 0.16667 6 +ACC 2 260.00000 0.66667 6 +ACC 3 270.00000 0.16667 6 +ACC 4 280.00000 0.72727 11 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 6.49996232559160 + 25.4805404481882 split increased to 2 itime 300131 + itsplit 1 + acceleration/energy drift too large 2.58006204880175 + 15.8783624241283 split increased to 2 itime 301505 + itsplit 1 + acceleration/energy drift too large 4.21970039382783 + 17.7665607199592 split increased to 2 itime 301794 + itsplit 1 + acceleration/energy drift too large 9.91588982907668 + 43.5430754465092 split increased to 2 itime 304322 + itsplit 1 + acceleration/energy drift too large 10.4692840581279 + 61.6454238861307 split increased to 2 itime 306415 + itsplit 1 +Velocities reset to random values, time 61999.80 + acceleration/energy drift too large 5.26443143493143 + 11.4144139693146 split increased to 2 itime 311248 + itsplit 1 + acceleration/energy drift too large 4.76036100696084 + 20.7117609402572 split increased to 2 itime 311992 + itsplit 1 + acceleration/energy drift too large 3.16872410883438 + 18.6281690348853 split increased to 2 itime 314584 + itsplit 1 + acceleration/energy drift too large 5.83530582996696 + 22.5895132763382 split increased to 2 itime 314610 + itsplit 1 + acceleration/energy drift too large 6.17925344863328 + 19.1739389932938 split increased to 2 itime 319114 + itsplit 1 + acceleration/energy drift too large 4.30612352097854 + 10.2084841756287 split increased to 2 itime 319277 + itsplit 1 +Velocities reset to random values, time 63999.80 + acceleration/energy drift too large 5.82909386848884 + 18.1396752863141 split increased to 2 itime 323272 + itsplit 1 + acceleration/energy drift too large 4.99594290967216 + 15.2612715869497 split increased to 2 itime 325276 + itsplit 1 + acceleration/energy drift too large 3.80274993500041 + 11.2636525275173 split increased to 2 itime 325768 + itsplit 1 + acceleration/energy drift too large 8.65670454357624 + 34.8542033024505 split increased to 2 itime 328800 + itsplit 1 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 12.3702744101952 + 67.9440822598173 split increased to 2 itime 331001 + itsplit 1 + acceleration/energy drift too large 4.96885932975669 + 27.3993910150084 split increased to 2 itime 333828 + itsplit 1 + acceleration/energy drift too large 6.73512206117244 + 23.4156513612148 split increased to 2 itime 336672 + itsplit 1 + acceleration/energy drift too large 4.67410275651991 + 14.1780830062519 split increased to 2 itime 337494 + itsplit 1 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 4.38341967987895 + 12.3387664462395 split increased to 2 itime 341368 + itsplit 1 + acceleration/energy drift too large 4.95965441431178 + 11.2019310790003 split increased to 2 itime 341910 + itsplit 1 + acceleration/energy drift too large 2.81631279124594 + 19.6629560425064 split increased to 2 itime 342369 + itsplit 1 + acceleration/energy drift too large 5.30805689722811 + 15.6354540228692 split increased to 2 itime 344075 + itsplit 1 + acceleration/energy drift too large 5.93163421689138 + 24.1072961118975 split increased to 2 itime 345559 + itsplit 1 + acceleration/energy drift too large 6.67789576272149 + 18.6167707770070 split increased to 2 itime 346672 + itsplit 1 + acceleration/energy drift too large 7.01407403587426 + 16.3185714414258 split increased to 2 itime 346739 + itsplit 1 + acceleration/energy drift too large 4.90144927917411 + 24.8732091506905 split increased to 2 itime 347823 + itsplit 1 + acceleration/energy drift too large 5.03381894235578 + 19.6452821994381 split increased to 2 itime 349489 + itsplit 1 + acceleration/energy drift too large 11.7242682304727 + 63.0212313293702 split increased to 2 itime 349699 + itsplit 1 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 5.09267080756254 + 12.6311631096094 split increased to 2 itime 351743 + itsplit 1 + acceleration/energy drift too large 5.75520505765500 + 19.8677370147375 split increased to 2 itime 351847 + itsplit 1 + acceleration/energy drift too large 6.67264568992455 + 19.3641394827380 split increased to 2 itime 352607 + itsplit 1 + acceleration/energy drift too large 4.70543836290285 + 15.5865450958695 split increased to 2 itime 356566 + itsplit 1 + acceleration/energy drift too large 2.76904349113884 + 15.5059143758396 split increased to 2 itime 357504 + itsplit 1 +Velocities reset to random values, time 71999.80 + acceleration/energy drift too large 7.15927735907959 + 23.2172286203546 split increased to 2 itime 368736 + itsplit 1 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 7.11357282846481 + 23.9751576451092 split increased to 2 itime 372296 + itsplit 1 + acceleration/energy drift too large 2.99372684187043 + 17.8227875423887 split increased to 2 itime 373982 + itsplit 1 + acceleration/energy drift too large 5.01726181115793 + 18.8320778666683 split increased to 2 itime 374959 + itsplit 1 + acceleration/energy drift too large 10.8331375174575 + 54.7614933355484 split increased to 2 itime 375032 + itsplit 1 + acceleration/energy drift too large 3.29180885859479 + 15.5657861488734 split increased to 2 itime 376099 + itsplit 1 + acceleration/energy drift too large 4.59393117629835 + 25.0601642367421 split increased to 2 itime 376148 + itsplit 1 + acceleration/energy drift too large 2.23638715991377 + 10.1257347974241 split increased to 2 itime 376149 + itsplit 1 + acceleration/energy drift too large 2.72289067936150 + 11.0882209082805 split increased to 2 itime 376992 + itsplit 1 + acceleration/energy drift too large 9.71751733286233 + 40.5344471258466 split increased to 2 itime 377745 + itsplit 1 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 6.66208714851058 + 15.8383538582103 split increased to 2 itime 382003 + itsplit 1 + acceleration/energy drift too large 2.94255366526444 + 11.7408896378324 split increased to 2 itime 387881 + itsplit 1 + acceleration/energy drift too large 6.57082299145938 + 26.2002495514376 split increased to 2 itime 387883 + itsplit 1 + acceleration/energy drift too large 6.41286248333091 + 21.0533394584010 split increased to 2 itime 388315 + itsplit 1 + acceleration/energy drift too large 4.43574296880089 + 11.5619235106307 split increased to 2 itime 388636 + itsplit 1 + acceleration/energy drift too large 8.94717810480495 + 35.7816405596013 split increased to 2 itime 389244 + itsplit 1 + acceleration/energy drift too large 3.19731217535774 + 12.3895544638850 split increased to 2 itime 389245 + itsplit 1 +Velocities reset to random values, time 77999.80 + acceleration/energy drift too large 6.67884029721190 + 23.6700301964307 split increased to 2 itime 390343 + itsplit 1 + acceleration/energy drift too large 5.80187243579720 + 20.1981262201935 split increased to 2 itime 393655 + itsplit 1 + acceleration/energy drift too large 6.12152284092122 + 22.0941501063336 split increased to 2 itime 393734 + itsplit 1 + acceleration/energy drift too large 3.42770997438472 + 25.3781643568897 split increased to 2 itime 394638 + itsplit 1 + acceleration/energy drift too large 1.30367113074551 + 10.3210786960360 split increased to 2 itime 397840 + itsplit 1 + acceleration/energy drift too large 7.59151736257134 + 26.6280567997637 split increased to 2 itime 398974 + itsplit 1 +Velocities reset to random values, time 79999.80 + REMD synchro at 400000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 142.480468750000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.37500 8 +ACC 2 260.00000 0.50000 8 +ACC 3 270.00000 0.12500 8 +ACC 4 280.00000 0.75000 16 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 5.32493170788472 + 29.0273560614869 split increased to 2 itime 400525 + itsplit 1 + acceleration/energy drift too large 4.46714535146728 + 12.0739543456654 split increased to 2 itime 400675 + itsplit 1 + acceleration/energy drift too large 2.83861688858299 + 16.9042719057586 split increased to 2 itime 401880 + itsplit 1 + acceleration/energy drift too large 2.72783328127732 + 18.4961231729049 split increased to 2 itime 402689 + itsplit 1 + acceleration/energy drift too large 2.87792931319310 + 12.5384142559374 split increased to 2 itime 402996 + itsplit 1 + acceleration/energy drift too large 10.2045431477155 + 44.1786058470144 split increased to 2 itime 403949 + itsplit 1 + acceleration/energy drift too large 5.12755122441736 + 28.3412063709133 split increased to 2 itime 404230 + itsplit 1 + acceleration/energy drift too large 4.93539820867640 + 14.8646700631729 split increased to 2 itime 404745 + itsplit 1 + acceleration/energy drift too large 2.26380006107873 + 11.4113934103430 split increased to 2 itime 406020 + itsplit 1 + acceleration/energy drift too large 2.03481141539749 + 12.5825513081388 split increased to 2 itime 407983 + itsplit 1 + acceleration/energy drift too large 3.45294110899470 + 18.8113934159324 split increased to 2 itime 408029 + itsplit 1 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 2.67253406127380 + 24.0210422458926 split increased to 2 itime 413810 + itsplit 1 + acceleration/energy drift too large 10.2153655598504 + 40.2354588978436 split increased to 2 itime 414933 + itsplit 1 + acceleration/energy drift too large 2.90457257441889 + 17.0862959784272 split increased to 2 itime 415957 + itsplit 1 + acceleration/energy drift too large 3.50552082213194 + 13.1964980853214 split increased to 2 itime 416727 + itsplit 1 + acceleration/energy drift too large 9.09933566753670 + 38.5786861541891 split increased to 2 itime 417681 + itsplit 1 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 2.52569745759244 + 12.2162956891196 split increased to 2 itime 421928 + itsplit 1 + acceleration/energy drift too large 5.97599437511640 + 21.6916512321359 split increased to 2 itime 422780 + itsplit 1 + acceleration/energy drift too large 2.93863228809361 + 16.8537947732041 split increased to 2 itime 422941 + itsplit 1 + acceleration/energy drift too large 2.93453683405904 + 15.3323143382362 split increased to 2 itime 423131 + itsplit 1 + acceleration/energy drift too large 2.31931728762659 + 12.5637825433506 split increased to 2 itime 423187 + itsplit 1 + acceleration/energy drift too large 4.10046716656242 + 12.5943568909533 split increased to 2 itime 425255 + itsplit 1 + acceleration/energy drift too large 2.42342886407603 + 12.7312638629128 split increased to 2 itime 425865 + itsplit 1 + acceleration/energy drift too large 6.87487825345447 + 19.6560086206610 split increased to 2 itime 426401 + itsplit 1 + acceleration/energy drift too large 7.58162641443428 + 28.3890728282636 split increased to 2 itime 427856 + itsplit 1 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 5.23436279590845 + 13.2659959282567 split increased to 2 itime 430146 + itsplit 1 + acceleration/energy drift too large 2.57092937493091 + 16.9506897266982 split increased to 2 itime 430248 + itsplit 1 + acceleration/energy drift too large 6.85989085558364 + 21.9655316769294 split increased to 2 itime 434731 + itsplit 1 + acceleration/energy drift too large 3.35864697559107 + 24.3445385247188 split increased to 2 itime 436206 + itsplit 1 + acceleration/energy drift too large 2.93649920762540 + 14.9837967030107 split increased to 2 itime 438271 + itsplit 1 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 11.9839476543948 + 45.5988815114562 split increased to 2 itime 443145 + itsplit 1 + acceleration/energy drift too large 4.75610599949915 + 10.2239474142417 split increased to 2 itime 443458 + itsplit 1 + acceleration/energy drift too large 6.91685859740854 + 25.5013553977978 split increased to 2 itime 444651 + itsplit 1 + acceleration/energy drift too large 4.40182820866005 + 11.4282118050382 split increased to 2 itime 444709 + itsplit 1 + acceleration/energy drift too large 4.89313263112850 + 24.3588451086808 split increased to 2 itime 445068 + itsplit 1 + acceleration/energy drift too large 2.10285917866903 + 10.6266819576768 split increased to 2 itime 445981 + itsplit 1 + acceleration/energy drift too large 2.03275188080230 + 12.3292723321576 split increased to 2 itime 446997 + itsplit 1 + acceleration/energy drift too large 3.58241644230275 + 14.1628557835081 split increased to 2 itime 447329 + itsplit 1 + acceleration/energy drift too large 7.53431730217662 + 27.6606453385028 split increased to 2 itime 447544 + itsplit 1 + acceleration/energy drift too large 5.01202671082395 + 12.7748084773939 split increased to 2 itime 449720 + itsplit 1 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 9.11980813756612 + 40.1106668707255 split increased to 2 itime 457136 + itsplit 1 + acceleration/energy drift too large 4.15511697559627 + 11.2763140537899 split increased to 2 itime 457997 + itsplit 1 + acceleration/energy drift too large 5.44256048797883 + 10.3897340637927 split increased to 2 itime 459519 + itsplit 1 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 5.86532861379937 + 21.5017840644272 split increased to 2 itime 461736 + itsplit 1 + acceleration/energy drift too large 11.5841062442136 + 67.8849373198122 split increased to 2 itime 463081 + itsplit 1 + acceleration/energy drift too large 8.60093452310442 + 27.6138425515302 split increased to 2 itime 467825 + itsplit 1 + acceleration/energy drift too large 3.83122319363030 + 12.5094109597700 split increased to 2 itime 468373 + itsplit 1 + acceleration/energy drift too large 4.10344973966051 + 25.1696738097453 split increased to 2 itime 468981 + itsplit 1 + acceleration/energy drift too large 6.28292584349362 + 19.4935601087376 split increased to 2 itime 469650 + itsplit 1 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 4.77455905647420 + 15.3055689234106 split increased to 2 itime 470340 + itsplit 1 + acceleration/energy drift too large 10.0559569690840 + 44.2380164314920 split increased to 2 itime 470858 + itsplit 1 + acceleration/energy drift too large 2.72860411809443 + 10.9077396171635 split increased to 2 itime 470859 + itsplit 1 + acceleration/energy drift too large 5.88070012312465 + 20.3823667897915 split increased to 2 itime 470901 + itsplit 1 + acceleration/energy drift too large 4.90262160587327 + 29.4009004277612 split increased to 2 itime 472409 + itsplit 1 + acceleration/energy drift too large 7.90320804156566 + 29.5495966188750 split increased to 2 itime 475468 + itsplit 1 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 2.06711437896088 + 11.4512419344409 split increased to 2 itime 481452 + itsplit 1 + acceleration/energy drift too large 3.79051786105195 + 10.9275676106106 split increased to 2 itime 481501 + itsplit 1 + acceleration/energy drift too large 3.37891418350268 + 11.9266618198760 split increased to 2 itime 482212 + itsplit 1 + acceleration/energy drift too large 4.82979694178335 + 10.7125498060470 split increased to 2 itime 482618 + itsplit 1 + acceleration/energy drift too large 3.41589362275692 + 14.5025730813520 split increased to 2 itime 484880 + itsplit 1 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 9.85024167101188 + 47.1476124144211 split increased to 2 itime 493106 + itsplit 1 + acceleration/energy drift too large 3.42819885516005 + 30.4138720725235 split increased to 2 itime 498140 + itsplit 1 + acceleration/energy drift too large 5.37336121855919 + 12.1381874767450 split increased to 2 itime 498593 + itsplit 1 + acceleration/energy drift too large 8.35391326976259 + 26.9161430000085 split increased to 2 itime 498722 + itsplit 1 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 178.164062500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.30000 10 +ACC 2 260.00000 0.40000 10 +ACC 3 270.00000 0.10000 10 +ACC 4 280.00000 0.79167 24 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.13650507562149 + 21.7613101487031 split increased to 2 itime 502474 + itsplit 1 + acceleration/energy drift too large 3.41254129436965 + 13.7786724631385 split increased to 2 itime 505274 + itsplit 1 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 10.2550715509833 + 51.8026501815320 split increased to 2 itime 511823 + itsplit 1 + acceleration/energy drift too large 10.4300195773746 + 45.4167559931097 split increased to 2 itime 513861 + itsplit 1 + acceleration/energy drift too large 3.91348312636596 + 24.8358250138375 split increased to 4 itime 513861 + itsplit 1 + acceleration/energy drift too large 5.64311570312450 + 15.0131455123082 split increased to 2 itime 514297 + itsplit 1 + acceleration/energy drift too large 1.42268073126194 + 13.7426344402459 split increased to 2 itime 514406 + itsplit 1 + acceleration/energy drift too large 5.91366708149794 + 13.3470197340095 split increased to 2 itime 514506 + itsplit 1 + acceleration/energy drift too large 8.89187799160198 + 28.6465325002970 split increased to 2 itime 514678 + itsplit 1 + acceleration/energy drift too large 2.57052796504428 + 13.3005239189833 split increased to 4 itime 514678 + itsplit 1 + acceleration/energy drift too large 4.35848451439378 + 11.4731453503445 split increased to 2 itime 516020 + itsplit 1 + acceleration/energy drift too large 3.50507996194288 + 12.0351373786745 split increased to 2 itime 516909 + itsplit 1 + acceleration/energy drift too large 4.48797751992146 + 24.6332833515170 split increased to 2 itime 517113 + itsplit 1 + acceleration/energy drift too large 3.72529623839987 + 10.5462745109289 split increased to 2 itime 517488 + itsplit 1 + acceleration/energy drift too large 3.37235072508537 + 11.4515723456415 split increased to 2 itime 517575 + itsplit 1 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 5.57216516981162 + 31.7556654926238 split increased to 2 itime 521577 + itsplit 1 + acceleration/energy drift too large 3.78213921917849 + 16.0139356873618 split increased to 2 itime 521693 + itsplit 1 + acceleration/energy drift too large 6.79103354346967 + 10.9484625608204 split increased to 2 itime 521736 + itsplit 1 + acceleration/energy drift too large 9.13908059108645 + 34.8535046616486 split increased to 2 itime 524292 + itsplit 1 + acceleration/energy drift too large 6.87972100488863 + 19.0796552139991 split increased to 2 itime 524621 + itsplit 1 + acceleration/energy drift too large 7.13395894349088 + 19.2147820884866 split increased to 2 itime 525776 + itsplit 1 + acceleration/energy drift too large 4.25521386666944 + 11.0712111276330 split increased to 2 itime 526217 + itsplit 1 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 5.70056831351558 + 14.2155200455811 split increased to 2 itime 531892 + itsplit 1 + acceleration/energy drift too large 4.96324960977166 + 19.2271794245826 split increased to 2 itime 533706 + itsplit 1 + acceleration/energy drift too large 4.44930692359676 + 10.0207095389912 split increased to 2 itime 533994 + itsplit 1 + acceleration/energy drift too large 12.5729967050467 + 74.0549996172125 split increased to 2 itime 538959 + itsplit 1 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 2.67982397950877 + 13.5410873862349 split increased to 2 itime 540436 + itsplit 1 + acceleration/energy drift too large 4.45346156053157 + 11.0152357347393 split increased to 2 itime 541858 + itsplit 1 + acceleration/energy drift too large 6.15461266807888 + 25.5648716546203 split increased to 2 itime 544403 + itsplit 1 + acceleration/energy drift too large 4.67329952007614 + 18.7675843450349 split increased to 2 itime 545293 + itsplit 1 + acceleration/energy drift too large 6.09508000329448 + 11.4371657718246 split increased to 2 itime 545721 + itsplit 1 + acceleration/energy drift too large 4.89598254926829 + 15.7158116129413 split increased to 2 itime 546908 + itsplit 1 + acceleration/energy drift too large 6.65521607753979 + 29.6040425398555 split increased to 2 itime 547856 + itsplit 1 + acceleration/energy drift too large 2.88047482560459 + 11.8288673762495 split increased to 2 itime 548084 + itsplit 1 +Velocities reset to random values, time 109999.80 + acceleration/energy drift too large 4.54724327519890 + 10.7228710057252 split increased to 2 itime 551092 + itsplit 1 + acceleration/energy drift too large 3.35500166435063 + 29.4102209520937 split increased to 2 itime 551279 + itsplit 1 + acceleration/energy drift too large 13.7047946558257 + 72.4703531295341 split increased to 2 itime 551722 + itsplit 1 + acceleration/energy drift too large 2.92703728261359 + 13.8839061114102 split increased to 4 itime 551722 + itsplit 2 + acceleration/energy drift too large 10.3979824683532 + 52.6634517758608 split increased to 2 itime 551950 + itsplit 1 + acceleration/energy drift too large 12.4870909637965 + 64.9501480684714 split increased to 2 itime 555414 + itsplit 1 + acceleration/energy drift too large 7.08737472491506 + 23.8147139214870 split increased to 2 itime 555524 + itsplit 1 + acceleration/energy drift too large 10.8573908944145 + 57.8048434184198 split increased to 2 itime 555854 + itsplit 1 + acceleration/energy drift too large 6.35280827471664 + 18.4437481779184 split increased to 2 itime 556668 + itsplit 1 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 6.28339125295257 + 17.4493982665097 split increased to 2 itime 560320 + itsplit 1 + acceleration/energy drift too large 2.45579031049088 + 14.0841964901882 split increased to 2 itime 563730 + itsplit 1 + acceleration/energy drift too large 2.20984758353291 + 13.0048779452826 split increased to 2 itime 565061 + itsplit 1 +Velocities reset to random values, time 113999.80 + acceleration/energy drift too large 5.34740854603147 + 11.9951127058679 split increased to 2 itime 570004 + itsplit 1 + acceleration/energy drift too large 4.94751727518024 + 25.1760577346454 split increased to 2 itime 571088 + itsplit 1 + acceleration/energy drift too large 5.65163082323002 + 15.0758320824058 split increased to 2 itime 577853 + itsplit 1 + acceleration/energy drift too large 7.10903040873281 + 26.0403507057773 split increased to 2 itime 578085 + itsplit 1 + acceleration/energy drift too large 8.61079031440322 + 54.8866240140092 split increased to 2 itime 579840 + itsplit 1 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 2.64866117688739 + 11.2785828070202 split increased to 2 itime 580953 + itsplit 1 + acceleration/energy drift too large 3.95911427761635 + 10.5741485920854 split increased to 2 itime 581162 + itsplit 1 + acceleration/energy drift too large 3.63831327260785 + 10.5328693565908 split increased to 2 itime 583110 + itsplit 1 + acceleration/energy drift too large 10.1414458548409 + 49.7139244736561 split increased to 2 itime 583431 + itsplit 1 + acceleration/energy drift too large 3.85606487816132 + 10.0930682381403 split increased to 2 itime 584213 + itsplit 1 + acceleration/energy drift too large 3.78569234652247 + 20.2575336451594 split increased to 2 itime 584714 + itsplit 1 + acceleration/energy drift too large 6.08980862046736 + 14.1004077746522 split increased to 2 itime 586627 + itsplit 1 + acceleration/energy drift too large 4.25683496866720 + 11.8040950247322 split increased to 2 itime 586895 + itsplit 1 + acceleration/energy drift too large 12.3723153430617 + 61.5653886168644 split increased to 2 itime 587080 + itsplit 1 + acceleration/energy drift too large 4.00480398992742 + 11.6336874665953 split increased to 2 itime 588010 + itsplit 1 + acceleration/energy drift too large 5.47917253326589 + 20.8953880142594 split increased to 2 itime 589868 + itsplit 1 + acceleration/energy drift too large 9.99209878960268 + 42.6855308830422 split increased to 2 itime 589946 + itsplit 1 +Velocities reset to random values, time 117999.80 + acceleration/energy drift too large 5.65279440920450 + 16.8410895025587 split increased to 2 itime 591202 + itsplit 1 + acceleration/energy drift too large 7.39413064176121 + 29.6545293404646 split increased to 2 itime 591989 + itsplit 1 + acceleration/energy drift too large 2.28576860873103 + 15.9030392312553 split increased to 2 itime 591990 + itsplit 1 + acceleration/energy drift too large 11.9520156035650 + 67.3310141453148 split increased to 2 itime 594362 + itsplit 1 + acceleration/energy drift too large 8.12226784338269 + 32.8016333625779 split increased to 2 itime 595578 + itsplit 1 + acceleration/energy drift too large 9.64190489492777 + 41.0415699266696 split increased to 2 itime 596639 + itsplit 1 + acceleration/energy drift too large 5.29458956305827 + 17.2054992065185 split increased to 2 itime 596866 + itsplit 1 + acceleration/energy drift too large 4.32283687155241 + 13.7329137229292 split increased to 2 itime 597244 + itsplit 1 + acceleration/energy drift too large 5.71623168104527 + 16.0112454773388 split increased to 2 itime 599314 + itsplit 1 +Velocities reset to random values, time 119999.80 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 213.839843750000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.33333 12 +ACC 2 260.00000 0.33333 12 +ACC 3 270.00000 0.08333 12 +ACC 4 280.00000 0.75862 29 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 1.96378919303669 + 11.6381826031193 split increased to 2 itime 600761 + itsplit 1 + acceleration/energy drift too large 9.57942729717024 + 37.8370811718215 split increased to 2 itime 600765 + itsplit 1 + acceleration/energy drift too large 4.80056596664212 + 15.9055140418011 split increased to 2 itime 601198 + itsplit 1 + acceleration/energy drift too large 2.66786950855939 + 15.8176033042936 split increased to 2 itime 601486 + itsplit 1 + acceleration/energy drift too large 5.91833002634705 + 14.8832157129661 split increased to 2 itime 606034 + itsplit 1 + acceleration/energy drift too large 4.63615688571700 + 13.9048896889697 split increased to 2 itime 606387 + itsplit 1 + acceleration/energy drift too large 10.4619543478080 + 45.8577417607386 split increased to 2 itime 606456 + itsplit 1 + acceleration/energy drift too large 4.43183574452229 + 20.5195686416413 split increased to 2 itime 606592 + itsplit 1 + acceleration/energy drift too large 7.70234298749965 + 24.5429432694940 split increased to 2 itime 607971 + itsplit 1 + acceleration/energy drift too large 3.00083389648853 + 19.7308431827365 split increased to 2 itime 608614 + itsplit 1 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 7.92560584050899 + 27.8951139858107 split increased to 2 itime 614550 + itsplit 1 + acceleration/energy drift too large 4.14019080726154 + 11.9886015179904 split increased to 2 itime 614706 + itsplit 1 + acceleration/energy drift too large 6.31170204612663 + 28.0307452516115 split increased to 2 itime 614866 + itsplit 1 + acceleration/energy drift too large 10.7830850983067 + 64.9829245310915 split increased to 2 itime 619420 + itsplit 1 + acceleration/energy drift too large 2.37037691635026 + 13.3662858363982 split increased to 4 itime 619420 + itsplit 2 +Velocities reset to random values, time 123999.80 + acceleration/energy drift too large 4.01600402099820 + 10.8969504974299 split increased to 2 itime 622508 + itsplit 1 + acceleration/energy drift too large 4.58251383978812 + 14.7650481326685 split increased to 2 itime 622963 + itsplit 1 + acceleration/energy drift too large 3.74725293714702 + 11.6740575364923 split increased to 2 itime 625306 + itsplit 1 + acceleration/energy drift too large 6.93224679507207 + 18.5574853574190 split increased to 2 itime 627367 + itsplit 1 + acceleration/energy drift too large 2.42912033761586 + 13.2542555132774 split increased to 2 itime 627833 + itsplit 1 + acceleration/energy drift too large 4.92360671121761 + 14.5738650965458 split increased to 2 itime 628028 + itsplit 1 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 6.40377841558155 + 19.9696019130411 split increased to 2 itime 630358 + itsplit 1 + acceleration/energy drift too large 1.78032985920441 + 12.6867762578165 split increased to 2 itime 630517 + itsplit 1 + acceleration/energy drift too large 2.41539021362087 + 13.6648450942296 split increased to 2 itime 632333 + itsplit 1 + acceleration/energy drift too large 4.33494161819931 + 10.3505501054893 split increased to 2 itime 632649 + itsplit 1 + acceleration/energy drift too large 9.27560026378491 + 38.9755858920106 split increased to 2 itime 634988 + itsplit 1 + acceleration/energy drift too large 4.68737615210203 + 12.9674509177316 split increased to 2 itime 636078 + itsplit 1 + acceleration/energy drift too large 3.55737395999643 + 10.7953743791962 split increased to 2 itime 636137 + itsplit 1 + acceleration/energy drift too large 5.62620927863390 + 18.3434316583332 split increased to 2 itime 638073 + itsplit 1 + acceleration/energy drift too large 2.70532224906033 + 10.1798567552104 split increased to 2 itime 638425 + itsplit 1 +Velocities reset to random values, time 127999.80 + acceleration/energy drift too large 8.66021355973768 + 33.4625463389495 split increased to 2 itime 643266 + itsplit 1 + acceleration/energy drift too large 3.39945384602488 + 10.1003781734592 split increased to 2 itime 645676 + itsplit 1 + acceleration/energy drift too large 6.07987264298656 + 16.0331223707494 split increased to 2 itime 648674 + itsplit 1 + acceleration/energy drift too large 5.63427270705266 + 11.3908880785043 split increased to 2 itime 649996 + itsplit 1 +Velocities reset to random values, time 129999.80 + acceleration/energy drift too large 5.28591416491993 + 14.8996153707178 split increased to 2 itime 650969 + itsplit 1 + acceleration/energy drift too large 1.93739618559575 + 13.2597029898814 split increased to 2 itime 652347 + itsplit 1 + acceleration/energy drift too large 4.59884008304321 + 11.3908712500636 split increased to 2 itime 653663 + itsplit 1 + acceleration/energy drift too large 7.73736964716356 + 38.1817814114604 split increased to 2 itime 654943 + itsplit 1 + acceleration/energy drift too large 3.80257229177762 + 10.8689564084771 split increased to 2 itime 655322 + itsplit 1 + acceleration/energy drift too large 2.75296840340959 + 15.1677778041949 split increased to 2 itime 655479 + itsplit 1 + acceleration/energy drift too large 2.28114676486544 + 12.3679343079403 split increased to 2 itime 656136 + itsplit 1 + acceleration/energy drift too large 13.2702714986262 + 94.4718674617195 split increased to 2 itime 659203 + itsplit 1 + acceleration/energy drift too large 2.68290913966884 + 16.7126918739845 split increased to 4 itime 659203 + itsplit 2 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 6.06578230130721 + 27.0237677678295 split increased to 2 itime 660233 + itsplit 1 + acceleration/energy drift too large 2.31554180817383 + 10.7574763284033 split increased to 2 itime 660234 + itsplit 1 + acceleration/energy drift too large 6.03348036298339 + 26.1470318527420 split increased to 2 itime 660977 + itsplit 1 + acceleration/energy drift too large 7.29388663794550 + 13.9689873535169 split increased to 2 itime 661387 + itsplit 1 + acceleration/energy drift too large 5.47965546509220 + 19.0759554731623 split increased to 2 itime 661437 + itsplit 1 + acceleration/energy drift too large 4.78332067268369 + 10.2488858937025 split increased to 2 itime 661679 + itsplit 1 + acceleration/energy drift too large 3.89474817707026 + 15.1824916243999 split increased to 2 itime 664856 + itsplit 1 + acceleration/energy drift too large 4.82757475037370 + 12.7125117757823 split increased to 2 itime 665004 + itsplit 1 + acceleration/energy drift too large 2.82117842725993 + 18.1699787400113 split increased to 2 itime 665785 + itsplit 1 + acceleration/energy drift too large 5.16137015645680 + 13.0204329074062 split increased to 2 itime 666283 + itsplit 1 + acceleration/energy drift too large 4.99215297416012 + 12.3362969715448 split increased to 2 itime 668228 + itsplit 1 + acceleration/energy drift too large 5.13892389515551 + 20.8912491510906 split increased to 2 itime 668761 + itsplit 1 +Velocities reset to random values, time 133999.80 + acceleration/energy drift too large 10.1675982071226 + 48.0489203572038 split increased to 2 itime 673776 + itsplit 1 + acceleration/energy drift too large 2.56413703402463 + 11.9279952603223 split increased to 4 itime 673776 + itsplit 2 + acceleration/energy drift too large 2.35252059131755 + 11.6043725097785 split increased to 2 itime 674420 + itsplit 1 + acceleration/energy drift too large 5.65115286886535 + 19.4541949955113 split increased to 2 itime 674921 + itsplit 1 + acceleration/energy drift too large 1.09845813933182 + 13.0131613543532 split increased to 2 itime 674922 + itsplit 1 + acceleration/energy drift too large 6.32171360573966 + 25.9064175564087 split increased to 2 itime 675454 + itsplit 1 + acceleration/energy drift too large 1.70489549834997 + 11.0197096618008 split increased to 2 itime 675572 + itsplit 1 + acceleration/energy drift too large 7.39736251582639 + 21.9962513531081 split increased to 2 itime 677088 + itsplit 1 +Velocities reset to random values, time 135999.80 + acceleration/energy drift too large 8.44053192464875 + 34.0966454555823 split increased to 2 itime 680381 + itsplit 1 + acceleration/energy drift too large 4.51300263330278 + 12.1894462932551 split increased to 2 itime 681863 + itsplit 1 + acceleration/energy drift too large 7.78394988890317 + 33.1251060582066 split increased to 2 itime 686687 + itsplit 1 +Velocities reset to random values, time 137999.80 + acceleration/energy drift too large 5.93949444611198 + 14.3704046236860 split increased to 2 itime 690346 + itsplit 1 + acceleration/energy drift too large 4.95126951476788 + 24.0101574219630 split increased to 2 itime 690838 + itsplit 1 + acceleration/energy drift too large 3.85808667025802 + 20.9555336135464 split increased to 2 itime 690839 + itsplit 1 + acceleration/energy drift too large 3.77847650311979 + 13.2954747858500 split increased to 2 itime 691507 + itsplit 1 + acceleration/energy drift too large 5.97315285725781 + 19.1646427919301 split increased to 2 itime 693063 + itsplit 1 + acceleration/energy drift too large 6.46438632176381 + 25.4736114112006 split increased to 2 itime 693226 + itsplit 1 + acceleration/energy drift too large 3.38778395216772 + 14.0283417870505 split increased to 2 itime 693564 + itsplit 1 + acceleration/energy drift too large 9.81354502036804 + 42.0736665316571 split increased to 2 itime 693689 + itsplit 1 + acceleration/energy drift too large 6.24095210300483 + 15.0794400114372 split increased to 2 itime 694167 + itsplit 1 + acceleration/energy drift too large 3.19329034961771 + 11.3137752538518 split increased to 2 itime 694969 + itsplit 1 + acceleration/energy drift too large 3.45920055620734 + 24.4507284791580 split increased to 2 itime 695954 + itsplit 1 + acceleration/energy drift too large 6.37850586519598 + 21.6697751936551 split increased to 2 itime 696069 + itsplit 1 + acceleration/energy drift too large 4.32128687563604 + 12.7388263227708 split increased to 2 itime 697684 + itsplit 1 + acceleration/energy drift too large 5.36090074982323 + 17.8182512992673 split increased to 2 itime 698445 + itsplit 1 + acceleration/energy drift too large 3.08523350089059 + 10.1042945459729 split increased to 2 itime 699541 + itsplit 1 +Velocities reset to random values, time 139999.80 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 249.519531250000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.35714 14 +ACC 2 260.00000 0.35714 14 +ACC 3 270.00000 0.07143 14 +ACC 4 280.00000 0.72727 33 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 8.71712155062556 + 33.5072667815886 split increased to 2 itime 705414 + itsplit 1 + acceleration/energy drift too large 5.61962906832314 + 13.2457651744474 split increased to 2 itime 708632 + itsplit 1 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 6.44585386562821 + 38.6413323157742 split increased to 2 itime 710178 + itsplit 1 + acceleration/energy drift too large 5.87499260957238 + 27.5599658060526 split increased to 2 itime 711406 + itsplit 1 + acceleration/energy drift too large 9.11193289071173 + 40.0736789522565 split increased to 2 itime 711709 + itsplit 1 + acceleration/energy drift too large 2.59211141320019 + 13.1320275929318 split increased to 2 itime 713100 + itsplit 1 + acceleration/energy drift too large 2.74515403067154 + 10.8153389072186 split increased to 2 itime 713530 + itsplit 1 + acceleration/energy drift too large 3.50999948083756 + 10.0830836246995 split increased to 2 itime 714341 + itsplit 1 + acceleration/energy drift too large 5.70218059971810 + 12.6039094490348 split increased to 2 itime 714387 + itsplit 1 + acceleration/energy drift too large 5.84555029402403 + 39.7374575916010 split increased to 2 itime 714915 + itsplit 1 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 11.7721173415737 + 61.8532622946670 split increased to 2 itime 720375 + itsplit 1 + acceleration/energy drift too large 3.70274110107479 + 21.9857487962291 split increased to 2 itime 722176 + itsplit 1 + acceleration/energy drift too large 6.26956204105007 + 18.1888778825175 split increased to 2 itime 722412 + itsplit 1 + acceleration/energy drift too large 3.83337534381826 + 16.1663806086950 split increased to 2 itime 722434 + itsplit 1 + acceleration/energy drift too large 2.67514962704550 + 12.1138854183229 split increased to 2 itime 722645 + itsplit 1 + acceleration/energy drift too large 3.26167804903766 + 15.9652226001032 split increased to 2 itime 725084 + itsplit 1 + acceleration/energy drift too large 2.69902770844230 + 10.2317190459437 split increased to 2 itime 726352 + itsplit 1 + acceleration/energy drift too large 2.38106510395763 + 12.0097362460579 split increased to 2 itime 728124 + itsplit 1 + acceleration/energy drift too large 4.09097377768023 + 12.2733137023295 split increased to 2 itime 729076 + itsplit 1 + acceleration/energy drift too large 2.00623181758130 + 11.1813434073448 split increased to 2 itime 729805 + itsplit 1 + acceleration/energy drift too large 1.81746814142411 + 12.1270189782978 split increased to 2 itime 729927 + itsplit 1 +Velocities reset to random values, time 145999.80 + acceleration/energy drift too large 6.30171898653417 + 26.9332205320552 split increased to 2 itime 730448 + itsplit 1 + acceleration/energy drift too large 4.09789844919381 + 12.0417552342048 split increased to 2 itime 731145 + itsplit 1 + acceleration/energy drift too large 2.73308834492697 + 16.2661868478427 split increased to 2 itime 731362 + itsplit 1 + acceleration/energy drift too large 9.27944111411627 + 46.3391757629225 split increased to 2 itime 732256 + itsplit 1 + acceleration/energy drift too large 1.94236498933447 + 12.4101487281980 split increased to 2 itime 732257 + itsplit 1 + acceleration/energy drift too large 5.50306040868782 + 17.9944901353772 split increased to 2 itime 732581 + itsplit 1 + acceleration/energy drift too large 2.70798748275415 + 16.5384327302314 split increased to 2 itime 732760 + itsplit 1 + acceleration/energy drift too large 5.20603024460984 + 14.8024244230431 split increased to 2 itime 735555 + itsplit 1 +Velocities reset to random values, time 147999.80 + acceleration/energy drift too large 4.51935684389718 + 11.2060039808851 split increased to 2 itime 746862 + itsplit 1 + acceleration/energy drift too large 7.57723771632449 + 27.5655099497784 split increased to 2 itime 747831 + itsplit 1 + acceleration/energy drift too large 6.70692765878672 + 20.1428183704622 split increased to 2 itime 749480 + itsplit 1 +Velocities reset to random values, time 149999.80 + acceleration/energy drift too large 2.95871265869162 + 19.6753677498138 split increased to 2 itime 752117 + itsplit 1 + acceleration/energy drift too large 10.0761219189002 + 49.4993481507667 split increased to 2 itime 753329 + itsplit 1 + acceleration/energy drift too large 4.68108098859650 + 23.2541412083268 split increased to 2 itime 753335 + itsplit 1 + acceleration/energy drift too large 7.82483812264385 + 26.6090083172844 split increased to 2 itime 755256 + itsplit 1 + acceleration/energy drift too large 6.30043786410311 + 25.8970084708371 split increased to 2 itime 755471 + itsplit 1 + acceleration/energy drift too large 4.81037887981775 + 10.8554679887815 split increased to 2 itime 755613 + itsplit 1 + acceleration/energy drift too large 5.95694658496908 + 15.1630153272357 split increased to 2 itime 758237 + itsplit 1 + acceleration/energy drift too large 4.30210782789837 + 12.6008300192189 split increased to 2 itime 758456 + itsplit 1 + acceleration/energy drift too large 5.09699013416595 + 12.6372021157292 split increased to 2 itime 758906 + itsplit 1 + acceleration/energy drift too large 4.95511357209333 + 19.8205842668419 split increased to 2 itime 759379 + itsplit 1 + acceleration/energy drift too large 1.44703519904851 + 12.2631942864162 split increased to 2 itime 759380 + itsplit 1 +Velocities reset to random values, time 151999.80 + acceleration/energy drift too large 3.86804444739608 + 13.2881999627374 split increased to 2 itime 760540 + itsplit 1 + acceleration/energy drift too large 3.93152273863088 + 11.1882483230881 split increased to 2 itime 760590 + itsplit 1 + acceleration/energy drift too large 4.32853759670472 + 10.9617936057278 split increased to 2 itime 760876 + itsplit 1 + acceleration/energy drift too large 8.98124740107984 + 33.0041095210235 split increased to 2 itime 761256 + itsplit 1 + acceleration/energy drift too large 6.47115509271955 + 28.9900994753856 split increased to 2 itime 761762 + itsplit 1 + acceleration/energy drift too large 7.42242698149734 + 25.9057091698444 split increased to 2 itime 763038 + itsplit 1 + acceleration/energy drift too large 4.54022908914888 + 12.1102826558000 split increased to 2 itime 763134 + itsplit 1 + acceleration/energy drift too large 10.3421119805922 + 54.2807901391931 split increased to 2 itime 764218 + itsplit 1 + acceleration/energy drift too large 6.23713027726598 + 20.1092406564759 split increased to 2 itime 766353 + itsplit 1 + acceleration/energy drift too large 5.98697107122912 + 25.5299170773581 split increased to 2 itime 766998 + itsplit 1 + acceleration/energy drift too large 7.46756174010912 + 24.2131948282495 split increased to 2 itime 769359 + itsplit 1 + acceleration/energy drift too large 5.80770424804647 + 15.7271064834330 split increased to 2 itime 769535 + itsplit 1 +Velocities reset to random values, time 153999.80 + acceleration/energy drift too large 3.77980028408596 + 16.3210699451899 split increased to 2 itime 770383 + itsplit 1 + acceleration/energy drift too large 5.40141839583742 + 14.7181677295055 split increased to 2 itime 771003 + itsplit 1 + acceleration/energy drift too large 5.77936597013653 + 15.2383364672246 split increased to 2 itime 773845 + itsplit 1 + acceleration/energy drift too large 2.73291905596801 + 11.9577963816351 split increased to 2 itime 778857 + itsplit 1 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 11.7640147461158 + 62.2040647539116 split increased to 2 itime 780483 + itsplit 1 + acceleration/energy drift too large 4.96581771860312 + 11.1091968067813 split increased to 2 itime 787610 + itsplit 1 +Velocities reset to random values, time 157999.80 + acceleration/energy drift too large 2.56709627090463 + 13.1676750619354 split increased to 2 itime 795440 + itsplit 1 + acceleration/energy drift too large 6.24999496939122 + 19.4944290191357 split increased to 2 itime 796413 + itsplit 1 + acceleration/energy drift too large 2.46803050969701 + 10.6672184459973 split increased to 2 itime 796669 + itsplit 1 + acceleration/energy drift too large 5.65438322951697 + 20.1889331273561 split increased to 2 itime 797737 + itsplit 1 + acceleration/energy drift too large 7.21842618244476 + 16.2493068405891 split increased to 2 itime 798946 + itsplit 1 +Velocities reset to random values, time 159999.80 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 285.757812500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.31250 16 +ACC 2 260.00000 0.31250 16 +ACC 3 270.00000 0.06250 16 +ACC 4 280.00000 0.74359 39 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.17539362802573 + 12.5512201940332 split increased to 2 itime 800073 + itsplit 1 + acceleration/energy drift too large 8.43898716212119 + 16.0771808267397 split increased to 2 itime 800258 + itsplit 1 + acceleration/energy drift too large 4.76570378714015 + 16.1423908929987 split increased to 2 itime 803728 + itsplit 1 + acceleration/energy drift too large 4.74616783083488 + 16.6418700693617 split increased to 2 itime 804198 + itsplit 1 + acceleration/energy drift too large 6.79030300544150 + 23.9206393800696 split increased to 2 itime 805130 + itsplit 1 + acceleration/energy drift too large 4.62432379739605 + 15.0426138899308 split increased to 2 itime 806760 + itsplit 1 + acceleration/energy drift too large 10.6068957378003 + 24.6820243095101 split increased to 2 itime 806987 + itsplit 1 + acceleration/energy drift too large 4.83576006191019 + 14.3066070908599 split increased to 2 itime 808998 + itsplit 1 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 10.8853254657301 + 54.1273329813965 split increased to 2 itime 810971 + itsplit 1 + acceleration/energy drift too large 4.53936845692511 + 24.3998561385874 split increased to 2 itime 813416 + itsplit 1 + acceleration/energy drift too large 2.00146474765907 + 12.9181144375591 split increased to 2 itime 813499 + itsplit 1 + acceleration/energy drift too large 3.57707350019532 + 24.8682544643142 split increased to 2 itime 816251 + itsplit 1 + acceleration/energy drift too large 3.44809577831474 + 21.5634110551467 split increased to 2 itime 816534 + itsplit 1 + acceleration/energy drift too large 10.9543391299600 + 68.4465446068496 split increased to 2 itime 818144 + itsplit 1 + acceleration/energy drift too large 5.32441351691723 + 12.1120016495625 split increased to 2 itime 819080 + itsplit 1 +Velocities reset to random values, time 163999.80 + acceleration/energy drift too large 5.39991149265490 + 17.2277947644528 split increased to 2 itime 820063 + itsplit 1 + acceleration/energy drift too large 1.77314356133966 + 14.9633963711270 split increased to 2 itime 820064 + itsplit 1 + acceleration/energy drift too large 4.72602817543723 + 10.9256019375356 split increased to 2 itime 820536 + itsplit 1 + acceleration/energy drift too large 2.58402941216628 + 13.1875737053157 split increased to 2 itime 821962 + itsplit 1 + acceleration/energy drift too large 2.59316645189961 + 11.8150831444866 split increased to 2 itime 822008 + itsplit 1 + acceleration/energy drift too large 7.84009241952735 + 24.2658608702363 split increased to 2 itime 822103 + itsplit 1 + acceleration/energy drift too large 5.40319326930534 + 11.8982735402260 split increased to 2 itime 828348 + itsplit 1 +Velocities reset to random values, time 165999.80 + acceleration/energy drift too large 6.71875130754419 + 25.2611187087503 split increased to 2 itime 831456 + itsplit 1 + acceleration/energy drift too large 4.75516614909809 + 10.9424768668879 split increased to 2 itime 834717 + itsplit 1 + acceleration/energy drift too large 6.34497564015413 + 13.1115145670315 split increased to 2 itime 835201 + itsplit 1 + acceleration/energy drift too large 9.00927314031548 + 40.7609719260337 split increased to 2 itime 839087 + itsplit 1 + acceleration/energy drift too large 1.22659978428022 + 12.5016354638147 split increased to 2 itime 839088 + itsplit 1 + acceleration/energy drift too large 6.03700234552312 + 30.5646722275483 split increased to 2 itime 839615 + itsplit 1 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 7.10747507063090 + 25.3635534227041 split increased to 2 itime 841100 + itsplit 1 + acceleration/energy drift too large 8.32288501793419 + 34.6701853060050 split increased to 2 itime 844191 + itsplit 1 + acceleration/energy drift too large 9.99478444587331 + 48.9481013666828 split increased to 2 itime 845529 + itsplit 1 + acceleration/energy drift too large 1.55884572897033 + 12.5580476891549 split increased to 2 itime 846633 + itsplit 1 + acceleration/energy drift too large 6.19247638241802 + 18.6356054457107 split increased to 2 itime 846822 + itsplit 1 + acceleration/energy drift too large 4.44580831767416 + 13.3168174221503 split increased to 2 itime 848773 + itsplit 1 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 5.12667595074069 + 18.1083848008558 split increased to 2 itime 851129 + itsplit 1 + acceleration/energy drift too large 5.31495230794195 + 17.2173388901390 split increased to 2 itime 853536 + itsplit 1 + acceleration/energy drift too large 3.98424321291486 + 11.2007054137181 split increased to 2 itime 856516 + itsplit 1 + acceleration/energy drift too large 5.94878179603460 + 22.5719085136287 split increased to 2 itime 857147 + itsplit 1 + acceleration/energy drift too large 6.57095914763455 + 24.4479957178359 split increased to 2 itime 858182 + itsplit 1 + acceleration/energy drift too large 15.3232982653803 + 94.3096408953427 split increased to 2 itime 858464 + itsplit 1 + acceleration/energy drift too large 2.59847752037541 + 11.3246345994573 split increased to 4 itime 858464 + itsplit 1 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 5.86756542175849 + 21.7992406500632 split increased to 2 itime 864829 + itsplit 1 + acceleration/energy drift too large 10.4436714273162 + 27.5466902558856 split increased to 2 itime 865917 + itsplit 1 + acceleration/energy drift too large 11.0395332028414 + 47.1948502836328 split increased to 2 itime 865988 + itsplit 1 + acceleration/energy drift too large 3.89956981575038 + 16.9814889591811 split increased to 2 itime 868423 + itsplit 1 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 10.5985918498050 + 44.4108923204752 split increased to 2 itime 871992 + itsplit 1 + acceleration/energy drift too large 8.13458200903626 + 33.7407162724200 split increased to 2 itime 872087 + itsplit 1 + acceleration/energy drift too large 11.8357510065204 + 52.5074558124040 split increased to 2 itime 873183 + itsplit 1 + acceleration/energy drift too large 2.92477123284909 + 13.2448634858232 split increased to 4 itime 873183 + itsplit 2 + acceleration/energy drift too large 13.7853538755129 + 70.7123452348024 split increased to 2 itime 873556 + itsplit 1 + acceleration/energy drift too large 4.96866389423669 + 17.3093549158449 split increased to 2 itime 874158 + itsplit 1 + acceleration/energy drift too large 4.58459324574727 + 11.4561303759212 split increased to 2 itime 875643 + itsplit 1 + acceleration/energy drift too large 10.6717496401822 + 54.4071662121665 split increased to 2 itime 877229 + itsplit 1 + acceleration/energy drift too large 2.00786172593375 + 11.1712743875438 split increased to 2 itime 878489 + itsplit 1 +Velocities reset to random values, time 175999.80 + acceleration/energy drift too large 5.26879753513507 + 14.4381583717057 split increased to 2 itime 882787 + itsplit 1 + acceleration/energy drift too large 5.55233467491308 + 23.6300250093994 split increased to 2 itime 882907 + itsplit 1 + acceleration/energy drift too large 4.70041044413669 + 10.9848991926025 split increased to 2 itime 884645 + itsplit 1 + acceleration/energy drift too large 4.94437942485239 + 11.7892974456294 split increased to 2 itime 884751 + itsplit 1 + acceleration/energy drift too large 4.95630064513139 + 18.4719051548976 split increased to 2 itime 886382 + itsplit 1 +Velocities reset to random values, time 177999.80 + acceleration/energy drift too large 1.96044152101068 + 10.6558465484199 split increased to 2 itime 893369 + itsplit 1 + acceleration/energy drift too large 6.02734564193341 + 12.1338237904880 split increased to 2 itime 893424 + itsplit 1 + acceleration/energy drift too large 2.40096382265142 + 15.4450431909484 split increased to 2 itime 897886 + itsplit 1 +Velocities reset to random values, time 179999.80 + REMD synchro at 900000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 321.726562500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.38889 18 +ACC 2 260.00000 0.27778 18 +ACC 3 270.00000 0.05556 18 +ACC 4 280.00000 0.72093 43 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 5.71514740344568 + 13.6281022847843 split increased to 2 itime 901782 + itsplit 1 + acceleration/energy drift too large 10.9934125524854 + 50.2920299901713 split increased to 2 itime 902127 + itsplit 1 + acceleration/energy drift too large 4.92210231899982 + 12.0766504648517 split increased to 2 itime 902804 + itsplit 1 + acceleration/energy drift too large 5.06414109114000 + 14.2657111988921 split increased to 2 itime 905587 + itsplit 1 + acceleration/energy drift too large 8.80994117321351 + 37.1826606402313 split increased to 2 itime 906631 + itsplit 1 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 2.65597561486335 + 11.0743041903160 split increased to 2 itime 912387 + itsplit 1 + acceleration/energy drift too large 6.92818824344209 + 21.6155762558959 split increased to 2 itime 913588 + itsplit 1 + acceleration/energy drift too large 7.90083716565405 + 24.8690866265602 split increased to 2 itime 917888 + itsplit 1 + acceleration/energy drift too large 5.72687020356758 + 11.5825835742799 split increased to 2 itime 918816 + itsplit 1 + acceleration/energy drift too large 5.01468640740298 + 19.8130402657057 split increased to 2 itime 918891 + itsplit 1 + acceleration/energy drift too large 4.34456565370958 + 13.0765561632187 split increased to 2 itime 919091 + itsplit 1 + acceleration/energy drift too large 5.13617802622190 + 29.7591878227575 split increased to 2 itime 919424 + itsplit 1 + acceleration/energy drift too large 2.42414098178573 + 12.0654053523613 split increased to 2 itime 919803 + itsplit 1 +Velocities reset to random values, time 183999.80 + acceleration/energy drift too large 10.0299038928884 + 36.9966299551508 split increased to 2 itime 921986 + itsplit 1 + acceleration/energy drift too large 9.45590486003000 + 47.1828560890575 split increased to 2 itime 923509 + itsplit 1 + acceleration/energy drift too large 3.46040715411608 + 12.7825352307440 split increased to 2 itime 924383 + itsplit 1 + acceleration/energy drift too large 3.80214408147408 + 14.3969163375044 split increased to 2 itime 924843 + itsplit 1 + acceleration/energy drift too large 3.94481731359246 + 11.9708459217980 split increased to 2 itime 926962 + itsplit 1 + acceleration/energy drift too large 6.74396860154954 + 20.5349934875906 split increased to 2 itime 927389 + itsplit 1 + acceleration/energy drift too large 5.36040437534790 + 24.0102532988524 split increased to 2 itime 928350 + itsplit 1 + acceleration/energy drift too large 9.40919850314354 + 38.5645800820981 split increased to 2 itime 928389 + itsplit 1 + acceleration/energy drift too large 4.76092473844312 + 22.0826209787343 split increased to 2 itime 928518 + itsplit 1 + acceleration/energy drift too large 5.08310445130870 + 28.8011943712841 split increased to 2 itime 928698 + itsplit 1 + acceleration/energy drift too large 5.80923182526519 + 19.9865900842357 split increased to 2 itime 928809 + itsplit 1 + acceleration/energy drift too large 5.05275172801476 + 25.2725941418263 split increased to 2 itime 929248 + itsplit 1 + acceleration/energy drift too large 5.09103105832141 + 15.0930332101291 split increased to 2 itime 929703 + itsplit 1 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 4.64506418891334 + 11.9026814324449 split increased to 2 itime 933499 + itsplit 1 + acceleration/energy drift too large 4.89490435290292 + 12.4256492154126 split increased to 2 itime 933508 + itsplit 1 + acceleration/energy drift too large 11.5212392174343 + 49.0721979383186 split increased to 2 itime 934307 + itsplit 1 + acceleration/energy drift too large 7.96207446992124 + 15.3971126015964 split increased to 2 itime 934441 + itsplit 1 + acceleration/energy drift too large 5.18789351652513 + 31.8563691834639 split increased to 2 itime 938672 + itsplit 1 + acceleration/energy drift too large 4.69739470897338 + 19.5092742586902 split increased to 2 itime 938686 + itsplit 1 + acceleration/energy drift too large 11.1361674824060 + 44.5748378770871 split increased to 2 itime 939647 + itsplit 1 + acceleration/energy drift too large 2.74764415959506 + 11.0611121170992 split increased to 4 itime 939647 + itsplit 2 +Velocities reset to random values, time 187999.80 + acceleration/energy drift too large 2.27413896383589 + 11.5024099975308 split increased to 2 itime 941508 + itsplit 1 + acceleration/energy drift too large 6.40475883836654 + 19.1225403660707 split increased to 2 itime 943926 + itsplit 1 + acceleration/energy drift too large 4.46571535199885 + 12.3810367292577 split increased to 2 itime 946426 + itsplit 1 + acceleration/energy drift too large 4.66958758076823 + 19.0846618206654 split increased to 2 itime 948340 + itsplit 1 +Velocities reset to random values, time 189999.80 + acceleration/energy drift too large 4.87691136276983 + 14.4578093291878 split increased to 2 itime 951179 + itsplit 1 + acceleration/energy drift too large 5.51055206171708 + 16.7823616387057 split increased to 2 itime 951448 + itsplit 1 + acceleration/energy drift too large 4.80780851227342 + 13.8720171936123 split increased to 2 itime 952275 + itsplit 1 + acceleration/energy drift too large 4.95496922715254 + 14.4503327277080 split increased to 2 itime 954159 + itsplit 1 + acceleration/energy drift too large 4.87417505689391 + 14.0978061532570 split increased to 2 itime 955139 + itsplit 1 + acceleration/energy drift too large 1.32913652719646 + 12.0248997075978 split increased to 2 itime 955559 + itsplit 1 + acceleration/energy drift too large 4.94437217115836 + 15.1485453190180 split increased to 2 itime 955816 + itsplit 1 + acceleration/energy drift too large 6.43614691215217 + 21.6696205930902 split increased to 2 itime 956623 + itsplit 1 + acceleration/energy drift too large 4.25494956403097 + 11.6022676388064 split increased to 2 itime 957405 + itsplit 1 + acceleration/energy drift too large 4.76867939612087 + 11.3814293536384 split increased to 2 itime 958018 + itsplit 1 + acceleration/energy drift too large 8.84942061184892 + 34.1755546882128 split increased to 2 itime 959420 + itsplit 1 + acceleration/energy drift too large 3.84994618386009 + 15.8673493830940 split increased to 2 itime 959561 + itsplit 1 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 8.51609012287771 + 31.2851806537769 split increased to 2 itime 963053 + itsplit 1 + acceleration/energy drift too large 10.3565107371589 + 51.5577138722102 split increased to 2 itime 963965 + itsplit 1 + acceleration/energy drift too large 1.95439585727398 + 16.5425532816246 split increased to 2 itime 963966 + itsplit 1 + acceleration/energy drift too large 5.84603437431627 + 16.6630630274481 split increased to 2 itime 964164 + itsplit 1 + acceleration/energy drift too large 4.60125269606814 + 14.9317723579277 split increased to 2 itime 967356 + itsplit 1 + acceleration/energy drift too large 3.41607134380413 + 11.1938277310468 split increased to 2 itime 968887 + itsplit 1 + acceleration/energy drift too large 9.05477707984093 + 40.5892523854984 split increased to 2 itime 969426 + itsplit 1 + acceleration/energy drift too large 2.77507712893320 + 10.1750067425536 split increased to 2 itime 969764 + itsplit 1 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 8.57342296852187 + 36.7722986794712 split increased to 2 itime 972239 + itsplit 1 + acceleration/energy drift too large 6.91064120278179 + 18.0600009642599 split increased to 2 itime 972258 + itsplit 1 + acceleration/energy drift too large 6.48360577350393 + 16.9829324245738 split increased to 2 itime 973342 + itsplit 1 + acceleration/energy drift too large 4.78972752386392 + 10.6220153153136 split increased to 2 itime 973986 + itsplit 1 + acceleration/energy drift too large 3.28832108089874 + 22.9509737252149 split increased to 2 itime 975801 + itsplit 1 + acceleration/energy drift too large 4.63706471648646 + 11.9541075525664 split increased to 2 itime 976328 + itsplit 1 + acceleration/energy drift too large 7.30805720623818 + 17.0680761034722 split increased to 2 itime 977449 + itsplit 1 + acceleration/energy drift too large 6.63698263551059 + 14.8615448557323 split increased to 2 itime 978019 + itsplit 1 + acceleration/energy drift too large 5.67057160442331 + 14.3906590101232 split increased to 2 itime 979815 + itsplit 1 +Velocities reset to random values, time 195999.80 + acceleration/energy drift too large 2.15180477706187 + 15.5910126299132 split increased to 2 itime 980342 + itsplit 1 + acceleration/energy drift too large 4.99516807130371 + 12.9013116454762 split increased to 2 itime 984051 + itsplit 1 + acceleration/energy drift too large 4.18309973862553 + 16.1730859230227 split increased to 2 itime 984907 + itsplit 1 + acceleration/energy drift too large 6.10995474218833 + 24.8652003909388 split increased to 2 itime 985070 + itsplit 1 + acceleration/energy drift too large 5.37838485287153 + 20.6681682777983 split increased to 2 itime 985803 + itsplit 1 + acceleration/energy drift too large 6.47786813756541 + 11.2236387252308 split increased to 2 itime 986211 + itsplit 1 + acceleration/energy drift too large 4.50953117326919 + 10.2381949366250 split increased to 2 itime 988947 + itsplit 1 + acceleration/energy drift too large 6.74986184599623 + 38.1406487957218 split increased to 2 itime 989437 + itsplit 1 + acceleration/energy drift too large 3.05586682844131 + 14.6533057846227 split increased to 2 itime 989465 + itsplit 1 +Velocities reset to random values, time 197999.80 + acceleration/energy drift too large 7.28658279620935 + 27.1283450743741 split increased to 2 itime 990299 + itsplit 1 + acceleration/energy drift too large 5.74247445547823 + 15.5650690443904 split increased to 2 itime 991006 + itsplit 1 + acceleration/energy drift too large 6.29556445663644 + 18.4170510383811 split increased to 2 itime 992407 + itsplit 1 + acceleration/energy drift too large 8.47176310989947 + 28.6653055426449 split increased to 2 itime 995217 + itsplit 1 + acceleration/energy drift too large 4.84497751633978 + 16.2830959517259 split increased to 2 itime 997879 + itsplit 1 + acceleration/energy drift too large 3.61226458022945 + 10.7417405920948 split increased to 2 itime 998715 + itsplit 1 + acceleration/energy drift too large 6.28375339113309 + 15.5533713623975 split increased to 2 itime 999578 + itsplit 1 + acceleration/energy drift too large 4.86184466154491 + 14.1794175822057 split increased to 2 itime 999875 + itsplit 1 +Velocities reset to random values, time 199999.80 + 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: 1.17188E-02 + Energy & gradient evaluation: 3.36117E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.57406E+02 + + +============================ End of MD calculation =========================== +CG processor 0 is finishing work. + Total wall clock time 357.441406250000 sec