Output file : 1L2Y_REMD.out_GB000
Sidechain potential file :
- /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
- p8g-sc
+ /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
********************************************************************************
### LAST MODIFIED 03/28/12 23:29 by czarek
++++ Compile info ++++
- Version 2.5 build 302
- compiled Mon Jul 23 17:42:12 2012
- compiled by jal47@matrix.chem.cornell.edu
- OS name: Linux
- OS release: 2.6.34.9-69.fc13.x86_64
- OS version: #1 SMP Tue May 3 09:23:03 UTC 2011
- flags:
- INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
- FC= ifort
- OPT = -g -ip -w -CB
- FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
- FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
- FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
- FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ...
- LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
- ARCH = LINUX
- PP = /lib/cpp -P
- object = unres.o arcos.o cartprint.o chainbuild...
- GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
- GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
- E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
- E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ 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
11.0000000000000 AKCT 12.0000000000000
V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
13.7000000000000
- EBR -5.50000000000000
+ 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
Calling chainbuild
Calling REMD
- MREMD 16 time before 2.343750000000000E-002
+ MREMD 8 time before 4.687500000000000E-002
NREP= 16
- i2rep 1 2 3 4 5 6 7 8 9 10
- 11 12 13 14 15 16
- i2set 1 1 1 1 1 1 1 1 1 1
- 1 1 1 1 1 1
+ i2rep 1 2 3 4 5 6 7 8
+ i2set 1 1 1 1 1 1 1 1
i,j,il,il1,i_index(i,j,il,il1)
ifirst 1
nupa 1: 2
ndowna 7: 6
nupa 8: 9
ndowna 8: 7
- nupa 9: 10
-ndowna 9: 8
- nupa 10: 11
-ndowna 10: 9
- nupa 11: 12
-ndowna 11: 10
- nupa 12: 13
-ndowna 12: 11
- nupa 13: 14
-ndowna 13: 12
- nupa 14: 15
-ndowna 14: 13
- nupa 15: 16
-ndowna 15: 14
- nupa 16:
-ndowna 16: 15
REMD Temperature: 250.00000
====================MD calculation start====================
Initial velocities randomly generated
22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Calling the zero-angular momentum subroutine
vcm right after adjustment:
- 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018
+ 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017
alpha-carbon coordinates centroid coordinates
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 0.000 180.000 180.000
-GLY 12 3.800 90.000 180.000 0.000 180.000 180.000
+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 0.000 180.000 180.000
+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 0.000 180.000 180.000
+D 22 3.800 90.000 180.000 0.000 0.000 180.000
Potential energy and its components
Virtual-chain energies:
-EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p)
-EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching)
-EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending)
-ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional)
-ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional)
-EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local)
-ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order)
-ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
+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= 2.499553E+01 (total)
+ETOT= 2.264125E+01 (total)
Initial:
Kinetic energy 2.63515E+01
- potential energy 2.49955E+01
- total energy 5.13470E+01
+ potential energy 2.26412E+01
+ total energy 4.89928E+01
- maximum acceleration 7.10627E-01
+ maximum acceleration 9.59318E-01
- Setup time 2.734375000000000E-002
- acceleration/energy drift too large 8.26334384637421
- 26.7750041557367 split increased to 2 itime 719
+ Setup time 6.250000000000000E-002
+ acceleration/energy drift too large 5.63918106737272
+ 35.3571855162741 split increased to 2 itime 1028
itsplit 1
- acceleration/energy drift too large 4.61869349236768
- 11.5940884147131 split increased to 2 itime 724
+ acceleration/energy drift too large 10.8729823992228
+ 52.3145846329672 split increased to 2 itime 1056
itsplit 1
- acceleration/energy drift too large 2.88576319612688
- 10.0025926580557 split increased to 2 itime 792
+ acceleration/energy drift too large 3.28536102197664
+ 11.7411501261499 split increased to 2 itime 1284
itsplit 1
- acceleration/energy drift too large 5.10759683559973
- 25.3079609183639 split increased to 2 itime 3382
+ acceleration/energy drift too large 5.14796605170366
+ 25.5944222483776 split increased to 2 itime 1464
itsplit 1
- acceleration/energy drift too large 2.90692413684614
- 21.9440903067037 split increased to 2 itime 3974
+ acceleration/energy drift too large 4.30555535081426
+ 12.0515261611403 split increased to 2 itime 1613
itsplit 1
- acceleration/energy drift too large 8.14549314472849
- 30.3388519180544 split increased to 2 itime 4484
+ acceleration/energy drift too large 5.94717809136189
+ 10.3896136034960 split increased to 2 itime 1652
itsplit 1
- acceleration/energy drift too large 5.07631645279015
- 30.2063670557820 split increased to 2 itime 4604
+ acceleration/energy drift too large 10.2204359471954
+ 24.1891695096049 split increased to 2 itime 1662
itsplit 1
- acceleration/energy drift too large 11.5987028347798
- 48.6460600947056 split increased to 2 itime 4697
+ acceleration/energy drift too large 2.44352174824906
+ 15.1453549172462 split increased to 2 itime 1880
itsplit 1
- acceleration/energy drift too large 2.65685222113156
- 10.2983630336477 split increased to 4 itime 4697
- itsplit 2
- acceleration/energy drift too large 10.7029694651655
- 44.5942350915888 split increased to 2 itime 5106
+ acceleration/energy drift too large 4.70471505415219
+ 14.3697900658259 split increased to 2 itime 2169
+ itsplit 1
+ acceleration/energy drift too large 2.36696298044121
+ 11.5481023464904 split increased to 2 itime 2988
+ itsplit 1
+ acceleration/energy drift too large 3.11001725079099
+ 11.6433912909899 split increased to 2 itime 2989
+ itsplit 1
+ acceleration/energy drift too large 3.63283289763953
+ 13.5411725430095 split increased to 2 itime 3193
itsplit 1
- acceleration/energy drift too large 6.38932592483277
- 22.0569805922871 split increased to 2 itime 5128
+ acceleration/energy drift too large 4.47921557608526
+ 11.9938670711319 split increased to 2 itime 3425
itsplit 1
- acceleration/energy drift too large 6.30278336386210
- 16.0033535111208 split increased to 2 itime 5410
+ acceleration/energy drift too large 8.91525490425866
+ 42.6973845999645 split increased to 2 itime 3662
itsplit 1
- acceleration/energy drift too large 6.61753175822789
- 13.7712700686941 split increased to 2 itime 6768
+ acceleration/energy drift too large 7.05435429203365
+ 19.2288496136548 split increased to 2 itime 3663
itsplit 1
- acceleration/energy drift too large 3.37029049581790
- 12.4641624365663 split increased to 2 itime 6965
+ acceleration/energy drift too large 4.68246766404941
+ 25.4676990523523 split increased to 2 itime 3937
itsplit 1
- acceleration/energy drift too large 7.04725995500587
- 23.6005304144775 split increased to 2 itime 7115
+ acceleration/energy drift too large 4.49544109901394
+ 28.2205277759573 split increased to 2 itime 4350
itsplit 1
- acceleration/energy drift too large 2.31738192585043
- 10.0124025188188 split increased to 2 itime 7208
+ acceleration/energy drift too large 3.84092228572669
+ 19.3324496146227 split increased to 2 itime 4951
itsplit 1
- acceleration/energy drift too large 5.48971569151628
- 37.5818416518357 split increased to 2 itime 8589
+ acceleration/energy drift too large 4.64153203464570
+ 10.1801404441808 split increased to 2 itime 6769
itsplit 1
- acceleration/energy drift too large 4.02343135233133
- 14.0475755909893 split increased to 2 itime 8811
+ acceleration/energy drift too large 5.07796478963469
+ 13.2741701023061 split increased to 2 itime 6931
itsplit 1
- acceleration/energy drift too large 4.84526479075250
- 32.3550694177225 split increased to 2 itime 8869
+ acceleration/energy drift too large 4.18814303625074
+ 27.1119625402691 split increased to 2 itime 7842
itsplit 1
- acceleration/energy drift too large 7.20091197705991
- 18.7496668928797 split increased to 2 itime 9735
+ acceleration/energy drift too large 3.39169805531536
+ 10.3324838871765 split increased to 2 itime 8797
itsplit 1
- acceleration/energy drift too large 2.19319531147200
- 16.1563778365408 split increased to 2 itime 10635
+ acceleration/energy drift too large 3.50043607321272
+ 25.7966304934517 split increased to 2 itime 9616
itsplit 1
- acceleration/energy drift too large 3.19824717418546
- 10.0028967513894 split increased to 2 itime 10998
+ acceleration/energy drift too large 2.62285471235274
+ 11.8319450262330 split increased to 2 itime 10764
itsplit 1
- acceleration/energy drift too large 3.34825712937002
- 11.1594771354202 split increased to 2 itime 11002
+ acceleration/energy drift too large 2.16115195113438
+ 11.0979197640116 split increased to 2 itime 11010
itsplit 1
- acceleration/energy drift too large 4.10413204548455
- 10.1591751402532 split increased to 2 itime 11014
+ acceleration/energy drift too large 3.07932134835063
+ 22.8366668952950 split increased to 2 itime 11241
itsplit 1
- acceleration/energy drift too large 7.27893808484307
- 19.3206237242882 split increased to 2 itime 11221
+ acceleration/energy drift too large 6.89071594777647
+ 16.6274454383628 split increased to 2 itime 13539
itsplit 1
- acceleration/energy drift too large 3.84370905023851
- 13.2448377005877 split increased to 2 itime 11372
+ acceleration/energy drift too large 8.04340932794725
+ 21.3639306285702 split increased to 2 itime 14319
itsplit 1
- acceleration/energy drift too large 7.87266245617727
- 15.8254254651018 split increased to 2 itime 11779
+ acceleration/energy drift too large 13.4467048311970
+ 70.5032897793779 split increased to 2 itime 14346
itsplit 1
- acceleration/energy drift too large 3.07075432401339
- 16.5692649375406 split increased to 2 itime 12430
+ acceleration/energy drift too large 3.85144891410892
+ 22.4563961669407 split increased to 2 itime 14390
itsplit 1
- acceleration/energy drift too large 3.36049632733531
- 19.3047104938715 split increased to 2 itime 12757
+ acceleration/energy drift too large 5.49359064817051
+ 18.3214897780854 split increased to 2 itime 14701
itsplit 1
- acceleration/energy drift too large 5.60381185909200
- 18.6477351478962 split increased to 2 itime 12946
+ acceleration/energy drift too large 2.63347046167346
+ 10.8011272807313 split increased to 2 itime 16123
itsplit 1
- acceleration/energy drift too large 1.54984928195195
- 10.2125344770836 split increased to 2 itime 13078
+ acceleration/energy drift too large 2.37252164101140
+ 10.0208029603040 split increased to 2 itime 16148
itsplit 1
- acceleration/energy drift too large 2.29472482371803
- 11.7631152409337 split increased to 2 itime 14399
+ acceleration/energy drift too large 6.81894093676270
+ 25.1133974477313 split increased to 2 itime 16666
itsplit 1
- acceleration/energy drift too large 4.64899892559597
- 26.0288302088623 split increased to 2 itime 16030
+ acceleration/energy drift too large 5.02639672515953
+ 38.5450806123208 split increased to 2 itime 16957
itsplit 1
- acceleration/energy drift too large 2.86579135507228
- 10.0249595392576 split increased to 2 itime 16741
+ acceleration/energy drift too large 3.29230213990233
+ 12.8682786761299 split increased to 2 itime 18553
itsplit 1
- acceleration/energy drift too large 4.79733365314638
- 20.9304044141132 split increased to 2 itime 16779
+ acceleration/energy drift too large 5.58321685105274
+ 13.0721496773453 split increased to 2 itime 19557
itsplit 1
- acceleration/energy drift too large 5.11072548409924
- 33.4643407870369 split increased to 2 itime 16945
+ acceleration/energy drift too large 11.4141101491608
+ 57.3686331453835 split increased to 2 itime 19636
itsplit 1
- acceleration/energy drift too large 7.39790118073690
- 19.3339247708666 split increased to 2 itime 17829
+ acceleration/energy drift too large 2.72191053725797
+ 13.3423503274378 split increased to 4 itime 19636
+ itsplit 2
+ acceleration/energy drift too large 3.43807708156927
+ 12.8108481669393 split increased to 2 itime 20554
itsplit 1
- acceleration/energy drift too large 5.74124464804356
- 21.6613363796507 split increased to 2 itime 19069
+ acceleration/energy drift too large 4.01017110729673
+ 11.6262771507421 split increased to 2 itime 21590
itsplit 1
- acceleration/energy drift too large 2.68617334940497
- 14.5761142155794 split increased to 2 itime 19507
+ acceleration/energy drift too large 3.15493106749717
+ 19.3017873000702 split increased to 2 itime 21638
itsplit 1
- acceleration/energy drift too large 3.26772102126463
- 10.2871167284916 split increased to 2 itime 19870
+ acceleration/energy drift too large 4.99772490386704
+ 13.0993452444689 split increased to 2 itime 22369
itsplit 1
- acceleration/energy drift too large 3.16331380819689
- 11.5063938877650 split increased to 2 itime 19942
+ acceleration/energy drift too large 3.75783880578601
+ 10.2013700416861 split increased to 2 itime 22562
itsplit 1
- acceleration/energy drift too large 5.20323962762652
- 17.1695181357142 split increased to 2 itime 20270
+ acceleration/energy drift too large 4.80981678325877
+ 11.9977359761756 split increased to 2 itime 24031
itsplit 1
- acceleration/energy drift too large 15.2873752399313
- 84.5846816992344 split increased to 2 itime 20276
+ acceleration/energy drift too large 2.47732674467058
+ 10.8948782515287 split increased to 2 itime 24847
itsplit 1
- acceleration/energy drift too large 7.16001686299731
- 22.3955892836373 split increased to 2 itime 20336
+ acceleration/energy drift too large 13.4640950242825
+ 125.047283850475 split increased to 2 itime 25440
itsplit 1
- acceleration/energy drift too large 5.86989661254096
- 19.0474532269753 split increased to 2 itime 20634
+ acceleration/energy drift too large 3.58314504573760
+ 14.4500196135448 split increased to 4 itime 25440
itsplit 1
- acceleration/energy drift too large 4.34435398222800
- 16.3468269714644 split increased to 2 itime 20764
+ acceleration/energy drift too large 5.04824018885210
+ 15.8361545775069 split increased to 2 itime 26725
itsplit 1
- acceleration/energy drift too large 4.96825645964055
- 14.9694726571255 split increased to 2 itime 21808
+ acceleration/energy drift too large 4.36035907773934
+ 10.6716890009158 split increased to 2 itime 26866
itsplit 1
- acceleration/energy drift too large 7.77975700537938
- 33.9618870135372 split increased to 2 itime 23360
+ acceleration/energy drift too large 12.6663032769869
+ 56.9234494407235 split increased to 2 itime 27001
itsplit 1
- acceleration/energy drift too large 3.74670074824093
- 10.0537930648378 split increased to 2 itime 23979
+ acceleration/energy drift too large 2.64325020681395
+ 12.3491706106436 split increased to 4 itime 27001
itsplit 1
- acceleration/energy drift too large 3.01681624062663
- 10.6180469919115 split increased to 2 itime 24290
+ acceleration/energy drift too large 6.41512050094965
+ 15.1041870349427 split increased to 2 itime 27035
itsplit 1
- acceleration/energy drift too large 4.20163218807467
- 10.4333728953428 split increased to 2 itime 24661
+ acceleration/energy drift too large 3.74516194471741
+ 11.5017789098039 split increased to 2 itime 27125
itsplit 1
- acceleration/energy drift too large 3.14106142774949
- 10.0363276570512 split increased to 2 itime 25251
+ acceleration/energy drift too large 6.29261702853444
+ 16.7293063203290 split increased to 2 itime 27647
itsplit 1
- acceleration/energy drift too large 3.07096828675019
- 10.2044751439592 split increased to 2 itime 25434
+ acceleration/energy drift too large 7.47098605918827
+ 23.8508160077668 split increased to 2 itime 28803
itsplit 1
- acceleration/energy drift too large 21.9910863425765
- 153.524454726087 split increased to 2 itime 25810
+ acceleration/energy drift too large 6.30271162717393
+ 12.7628672754401 split increased to 2 itime 29991
itsplit 1
- acceleration/energy drift too large 3.48219338729091
- 12.6544384392749 split increased to 2 itime 26722
+ acceleration/energy drift too large 5.54986684291316
+ 19.4528888820941 split increased to 2 itime 30047
itsplit 1
- acceleration/energy drift too large 2.91437522960170
- 11.6071049142778 split increased to 2 itime 26756
+ acceleration/energy drift too large 6.34572216646319
+ 12.4653243392076 split increased to 2 itime 30049
itsplit 1
- acceleration/energy drift too large 5.25853260740836
- 12.3572773566583 split increased to 2 itime 27842
+ acceleration/energy drift too large 5.55482687422360
+ 13.6199842088656 split increased to 2 itime 30057
itsplit 1
- acceleration/energy drift too large 5.60991619895774
- 12.5738626275850 split increased to 2 itime 27847
+ acceleration/energy drift too large 6.95060901150181
+ 13.6408588613389 split increased to 2 itime 30059
itsplit 1
- acceleration/energy drift too large 3.86997890833284
- 11.8757564018147 split increased to 2 itime 29211
+ acceleration/energy drift too large 5.73954928734024
+ 12.1213607224673 split increased to 2 itime 30071
itsplit 1
- acceleration/energy drift too large 3.97115744865603
- 11.3453629412571 split increased to 2 itime 30021
+ acceleration/energy drift too large 2.84073418788950
+ 10.1139425826687 split increased to 2 itime 30820
itsplit 1
- acceleration/energy drift too large 5.36692949498821
- 13.3046224291952 split increased to 2 itime 30032
+ acceleration/energy drift too large 5.86409442748216
+ 22.6716503125443 split increased to 2 itime 31189
itsplit 1
- acceleration/energy drift too large 3.38812310875308
- 11.9502290673888 split increased to 2 itime 30110
+ acceleration/energy drift too large 10.9541895939377
+ 51.8985245073042 split increased to 2 itime 31530
itsplit 1
- acceleration/energy drift too large 6.24236999428264
- 12.5572165235265 split increased to 2 itime 30738
+ acceleration/energy drift too large 2.59770862061949
+ 11.8706998198693 split increased to 4 itime 31530
+ itsplit 2
+ acceleration/energy drift too large 4.22864557277935
+ 21.7239295763887 split increased to 2 itime 32547
itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.67426255200319
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.37147441067814
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.48824369904477
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 6.43534547464478
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.60150589733684
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itsplit 1
- acceleration/energy drift too large 4.18972172609408
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 6.79828180574594
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itsplit 1
- acceleration/energy drift too large 3.58446858469148
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 3.56302927492159
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 9.21982307853412
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.51695364015000
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 10.4807209447992
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itsplit 1
- acceleration/energy drift too large 5.33018291097125
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itsplit 1
- acceleration/energy drift too large 8.97520495234830
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.15182857307978
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 6.54430620390576
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.25699322003709
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itsplit 1
- acceleration/energy drift too large 5.42022519259350
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itsplit 1
- acceleration/energy drift too large 5.05699437364065
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itsplit 1
- acceleration/energy drift too large 4.25265552366323
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itsplit 1
REMD synchro at 100000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 45.9921875000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 38.7382812500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 3.906250000000000E-003
NREP 16
-ACC 1 250.00000 1.00000 1
+ACC 1 250.00000 0.00000 1
ACC 2 260.00000 1.00000 1
-ACC 3 270.00000 1.00000 1
-ACC 4 280.00000 1.00000 1
-ACC 5 290.00000 0.00000 1
-ACC 6 300.00000 0.00000 1
+ACC 3 270.00000 0.00000 1
+ACC 4 280.00000 0.00000 1
+ACC 5 290.00000 1.00000 1
+ACC 6 300.00000 1.00000 1
ACC 7 310.00000 0.00000 1
-ACC 8 320.00000 1.00000 1
-ACC 9 330.00000 1.00000 1
-ACC 10 340.00000 1.00000 1
-ACC 11 350.00000 1.00000 1
-ACC 12 360.00000 1.00000 1
-ACC 13 370.00000 1.00000 1
-ACC 14 380.00000 1.00000 1
-ACC 15 390.00000 1.00000 1
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 8.17571755806531
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- 12.5042266379210 split increased to 2 itime 108992
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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+ itsplit 2
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itsplit 1
- acceleration/energy drift too large 11.9009529607981
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.01311925186105
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itsplit 1
- acceleration/energy drift too large 7.08008729016947
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.66578165036902
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.00214273769333
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 3.55856426423091
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+ REMD synchro at 200000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 78.4375000000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 3.906250000000000E-003
+ NREP 16
+ACC 1 250.00000 0.00000 2
+ACC 2 260.00000 1.00000 2
+ACC 3 270.00000 0.50000 2
+ACC 4 280.00000 0.50000 2
+ACC 5 290.00000 0.50000 2
+ACC 6 300.00000 1.00000 2
+ACC 7 310.00000 0.50000 2
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 12.2084485626411
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itsplit 1
- acceleration/energy drift too large 2.78850262144462
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+ itsplit 2
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 2.87646265974063
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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+ REMD synchro at 300000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 118.109375000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 0.000000000000000E+000
+ NREP 16
+ACC 1 250.00000 0.00000 3
+ACC 2 260.00000 1.00000 3
+ACC 3 270.00000 0.66667 3
+ACC 4 280.00000 0.33333 3
+ACC 5 290.00000 0.66667 3
+ACC 6 300.00000 1.00000 3
+ACC 7 310.00000 0.33333 3
+ REMD scatter time= 0.000000000000000E+000
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.16548879629661
- 10.2185273040875 split increased to 2 itime 193005
+ acceleration/energy drift too large 6.27248498501550
+ 10.4039078718275 split increased to 2 itime 390244
itsplit 1
- acceleration/energy drift too large 6.28927173873436
- 12.5536476526056 split increased to 2 itime 193947
+ acceleration/energy drift too large 6.52577007005597
+ 26.6490801364831 split increased to 2 itime 390544
itsplit 1
- acceleration/energy drift too large 12.2642592076063
- 67.1256047139475 split increased to 2 itime 194077
+ acceleration/energy drift too large 5.41096965651657
+ 19.4284264358583 split increased to 2 itime 391032
itsplit 1
- acceleration/energy drift too large 2.45834399292747
- 10.8917379312515 split increased to 4 itime 194077
- itsplit 2
- acceleration/energy drift too large 6.98158986680603
- 19.5481646554196 split increased to 2 itime 195703
+ acceleration/energy drift too large 9.65886191056836
+ 33.8381494710579 split increased to 2 itime 393221
itsplit 1
- acceleration/energy drift too large 3.56814895462811
- 17.9074515036942 split increased to 2 itime 195704
+ acceleration/energy drift too large 11.9468472090546
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itsplit 1
- acceleration/energy drift too large 5.02881354769344
- 12.9950757189103 split increased to 2 itime 197186
+ acceleration/energy drift too large 10.4699304006037
+ 58.5649932729230 split increased to 2 itime 394997
itsplit 1
- acceleration/energy drift too large 4.73342963105735
- 10.8721306937392 split increased to 2 itime 199241
+ acceleration/energy drift too large 2.20445882038501
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itsplit 1
- acceleration/energy drift too large 6.70513216285429
- 20.4557372742857 split increased to 2 itime 199666
+ acceleration/energy drift too large 8.06703128456995
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itsplit 1
- acceleration/energy drift too large 1.04057948859272
- 12.7797592386721 split increased to 2 itime 199970
+ acceleration/energy drift too large 6.72810857639519
+ 23.1823116638008 split increased to 2 itime 398147
itsplit 1
- REMD synchro at 200000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ REMD synchro at 400000
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 92.0312500000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 157.765625000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 3.906250000000000E-003
NREP 16
-ACC 1 250.00000 1.00000 2
-ACC 2 260.00000 0.50000 2
-ACC 3 270.00000 1.00000 2
-ACC 4 280.00000 1.00000 2
-ACC 5 290.00000 0.50000 2
-ACC 6 300.00000 0.00000 2
-ACC 7 310.00000 0.50000 2
-ACC 8 320.00000 1.00000 2
-ACC 9 330.00000 1.00000 2
-ACC 10 340.00000 0.50000 2
-ACC 11 350.00000 1.00000 2
-ACC 12 360.00000 1.00000 2
-ACC 13 370.00000 1.00000 2
-ACC 14 380.00000 1.00000 2
-ACC 15 390.00000 1.00000 2
+ACC 1 250.00000 0.00000 4
+ACC 2 260.00000 1.00000 4
+ACC 3 270.00000 0.50000 4
+ACC 4 280.00000 0.25000 4
+ACC 5 290.00000 0.75000 4
+ACC 6 300.00000 1.00000 4
+ACC 7 310.00000 0.50000 4
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 5.89140773579453
- 20.1261234554063 split increased to 2 itime 200422
- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 5.67127927179852
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- itsplit 1
- acceleration/energy drift too large 5.20973200413908
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 2.93300576737238
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- itsplit 1
- acceleration/energy drift too large 3.73619167792808
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 4.49530212189726
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- itsplit 1
- acceleration/energy drift too large 3.02262038911598
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- itsplit 1
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- acceleration/energy drift too large 2.17601343047985
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- itsplit 1
- acceleration/energy drift too large 8.81292881921265
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- itsplit 1
- acceleration/energy drift too large 9.21347905089017
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- itsplit 1
- acceleration/energy drift too large 3.59378539825926
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- itsplit 1
- acceleration/energy drift too large 6.45057815202493
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- itsplit 1
- acceleration/energy drift too large 3.46975042281598
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- itsplit 1
- acceleration/energy drift too large 3.25686699861687
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- itsplit 1
- acceleration/energy drift too large 6.08095208557491
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- itsplit 1
- acceleration/energy drift too large 3.29959381309558
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- itsplit 1
- acceleration/energy drift too large 3.88729862219471
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- itsplit 1
- acceleration/energy drift too large 3.64075713991041
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- itsplit 1
- acceleration/energy drift too large 2.42631452136178
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 7.72309973495581
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- itsplit 1
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 2.27177151500904
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- itsplit 1
- acceleration/energy drift too large 2.19732346696231
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 2.41596204802662
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- itsplit 1
- acceleration/energy drift too large 5.33717232565395
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- itsplit 1
- acceleration/energy drift too large 2.78206740104671
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- itsplit 1
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 2.79876999680024
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 3.44090354360418
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- itsplit 1
- acceleration/energy drift too large 2.74943885471165
- 16.8154284923089 split increased to 2 itime 229026
- itsplit 1
- acceleration/energy drift too large 3.84592297916786
- 11.4253139423951 split increased to 2 itime 229031
- itsplit 1
- acceleration/energy drift too large 6.10090881447645
- 14.2654374811945 split increased to 2 itime 229452
- itsplit 1
- acceleration/energy drift too large 3.72015428735500
- 11.3791559591323 split increased to 2 itime 230681
- itsplit 1
- acceleration/energy drift too large 5.47115327367603
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- itsplit 1
- acceleration/energy drift too large 2.38248945564126
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- itsplit 1
- acceleration/energy drift too large 3.81400872510888
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- itsplit 1
- acceleration/energy drift too large 8.84817567743045
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- itsplit 1
- acceleration/energy drift too large 4.25537828495053
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- itsplit 1
- acceleration/energy drift too large 7.84813508317189
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- itsplit 1
- acceleration/energy drift too large 3.72173088568857
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- itsplit 1
- acceleration/energy drift too large 2.97674366773214
- 10.0852134696623 split increased to 2 itime 239997
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 6.76528137629433
+ 18.9152164268437 split increased to 2 itime 400595
itsplit 1
- acceleration/energy drift too large 4.79116069816869
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itsplit 1
- acceleration/energy drift too large 2.39746140931716
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itsplit 1
- acceleration/energy drift too large 2.99578984003042
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itsplit 1
- acceleration/energy drift too large 3.70957795718904
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itsplit 1
- acceleration/energy drift too large 2.74716215430396
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itsplit 1
- acceleration/energy drift too large 2.69566619838395
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itsplit 1
- acceleration/energy drift too large 6.94461554482021
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itsplit 1
- acceleration/energy drift too large 2.33466204961906
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itsplit 1
- acceleration/energy drift too large 4.89678267637171
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itsplit 1
- acceleration/energy drift too large 2.52609672361426
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itsplit 1
- acceleration/energy drift too large 3.81746155706921
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itsplit 1
- acceleration/energy drift too large 3.22602244334460
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itsplit 1
- acceleration/energy drift too large 4.75122289638488
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itsplit 1
- acceleration/energy drift too large 7.19002221771642
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itsplit 1
- acceleration/energy drift too large 14.2644452055482
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itsplit 1
- acceleration/energy drift too large 6.93068677004978
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itsplit 1
- acceleration/energy drift too large 4.68031788236559
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itsplit 1
- acceleration/energy drift too large 3.32666128350239
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itsplit 1
- acceleration/energy drift too large 2.35990650928025
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itsplit 1
- acceleration/energy drift too large 3.04551211351344
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itsplit 1
- acceleration/energy drift too large 2.34769473722132
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itsplit 1
- acceleration/energy drift too large 3.46148145932330
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itsplit 1
- acceleration/energy drift too large 5.08742274687310
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itsplit 1
- acceleration/energy drift too large 2.08210631792926
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itsplit 1
- acceleration/energy drift too large 5.84736172998568
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itsplit 1
- acceleration/energy drift too large 2.85551414422957
- 10.2861691717684 split increased to 2 itime 260147
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itsplit 1
- acceleration/energy drift too large 9.07872636125521
- 25.6458286409979 split increased to 2 itime 261590
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itsplit 1
- acceleration/energy drift too large 2.52163600297276
- 10.0077850095993 split increased to 2 itime 263202
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itsplit 1
- acceleration/energy drift too large 3.75830429583806
- 13.6407900350918 split increased to 2 itime 263392
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itsplit 1
- acceleration/energy drift too large 7.47240435392542
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itsplit 1
- acceleration/energy drift too large 6.72974086319598
- 20.5467747352220 split increased to 2 itime 266851
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itsplit 1
- acceleration/energy drift too large 6.33109739432703
- 11.1277579388885 split increased to 2 itime 267953
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itsplit 1
- acceleration/energy drift too large 7.74249308287352
- 15.4451802421059 split increased to 2 itime 269382
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itsplit 1
- acceleration/energy drift too large 3.26085144452324
- 19.8829597027635 split increased to 2 itime 269724
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itsplit 1
- acceleration/energy drift too large 7.44341031517833
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 2.98732248260920
- 16.8440624501986 split increased to 2 itime 271045
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itsplit 1
- acceleration/energy drift too large 4.32081167141284
- 15.0154568734885 split increased to 2 itime 272587
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itsplit 1
- acceleration/energy drift too large 5.74989417960435
- 10.1905676077124 split increased to 2 itime 274859
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itsplit 1
- acceleration/energy drift too large 8.01190769181519
- 22.7771596009531 split increased to 2 itime 274965
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itsplit 1
- acceleration/energy drift too large 2.68877714999904
- 11.1080027982933 split increased to 2 itime 275760
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itsplit 1
- acceleration/energy drift too large 6.70047400708177
- 17.4989921441125 split increased to 2 itime 276551
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itsplit 1
- acceleration/energy drift too large 3.39583452499536
- 10.4766186602689 split increased to 2 itime 278605
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itsplit 1
- acceleration/energy drift too large 6.15274694577373
- 13.9616047769407 split increased to 2 itime 281276
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itsplit 1
- acceleration/energy drift too large 3.77220988221387
- 10.1207936353235 split increased to 2 itime 281333
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itsplit 1
- acceleration/energy drift too large 3.72515711247252
- 21.3963161788618 split increased to 2 itime 285190
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itsplit 1
- acceleration/energy drift too large 2.76732688192741
- 14.0155852993406 split increased to 2 itime 285916
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itsplit 1
- acceleration/energy drift too large 3.10854412414550
- 17.9499881033381 split increased to 2 itime 287587
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itsplit 1
- acceleration/energy drift too large 5.44723869467757
- 14.5927186999415 split increased to 2 itime 288260
+ acceleration/energy drift too large 9.30094460396799
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itsplit 1
- acceleration/energy drift too large 4.07973710274437
- 18.6148085114565 split increased to 2 itime 289368
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itsplit 1
- acceleration/energy drift too large 4.75859623701097
- 14.5071857149292 split increased to 2 itime 289771
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itsplit 1
- acceleration/energy drift too large 7.43072579421323
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itsplit 1
- acceleration/energy drift too large 3.51077662847037
- 17.8444188275560 split increased to 2 itime 290923
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itsplit 1
- acceleration/energy drift too large 6.50301392227160
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itsplit 1
- acceleration/energy drift too large 8.60888727483096
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itsplit 1
- acceleration/energy drift too large 6.23015689004005
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itsplit 1
- acceleration/energy drift too large 5.88224444348728
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itsplit 1
- acceleration/energy drift too large 7.18541453411736
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itsplit 1
- acceleration/energy drift too large 7.14220860539275
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itsplit 1
- acceleration/energy drift too large 5.17523349760034
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 12.6098036474486
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itsplit 1
- acceleration/energy drift too large 7.66356908024649
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itsplit 1
- acceleration/energy drift too large 7.09691106262257
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itsplit 1
- acceleration/energy drift too large 12.9753089542320
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itsplit 1
- acceleration/energy drift too large 3.54929128372393
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itsplit 1
- acceleration/energy drift too large 5.13575487432130
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+ acceleration/energy drift too large 7.46393772452495
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itsplit 1
- REMD synchro at 300000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ REMD synchro at 500000
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 139.070312500000 0.000000000000000E+000
- REMD writing rst time= 0.000000000000000E+000
- REMD writing traj time= 3.906250000000000E-003
+ REMD gather times= 197.445312500000 0.000000000000000E+000
+ REMD writing rst time= 3.906250000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
NREP 16
-ACC 1 250.00000 0.66667 3
-ACC 2 260.00000 0.33333 3
-ACC 3 270.00000 1.00000 3
-ACC 4 280.00000 1.00000 3
-ACC 5 290.00000 0.33333 3
-ACC 6 300.00000 0.33333 3
-ACC 7 310.00000 0.66667 3
-ACC 8 320.00000 0.66667 3
-ACC 9 330.00000 1.00000 3
-ACC 10 340.00000 0.33333 3
-ACC 11 350.00000 1.00000 3
-ACC 12 360.00000 1.00000 3
-ACC 13 370.00000 0.66667 3
-ACC 14 380.00000 1.00000 3
-ACC 15 390.00000 1.00000 3
+ACC 1 250.00000 0.00000 5
+ACC 2 260.00000 1.00000 5
+ACC 3 270.00000 0.40000 5
+ACC 4 280.00000 0.40000 5
+ACC 5 290.00000 0.60000 5
+ACC 6 300.00000 1.00000 5
+ACC 7 310.00000 0.40000 5
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 3.21515642220488
- 14.0061610816825 split increased to 2 itime 301588
- itsplit 1
- acceleration/energy drift too large 6.19518846532381
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 5.24358200070803
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 3.14171760766290
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itsplit 1
- acceleration/energy drift too large 4.37497773845037
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itsplit 1
- acceleration/energy drift too large 6.03864702561651
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itsplit 1
- acceleration/energy drift too large 2.89734350744965
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itsplit 1
- acceleration/energy drift too large 3.03664091876781
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itsplit 1
- acceleration/energy drift too large 5.17187667339472
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itsplit 1
- acceleration/energy drift too large 2.87878515918077
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itsplit 1
- acceleration/energy drift too large 3.97490106903046
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itsplit 1
- acceleration/energy drift too large 4.94631520644623
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itsplit 1
- acceleration/energy drift too large 6.13012117981803
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itsplit 1
- acceleration/energy drift too large 2.83020047735798
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itsplit 1
- acceleration/energy drift too large 5.48090829811770
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itsplit 1
- acceleration/energy drift too large 5.58365639697103
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itsplit 1
- acceleration/energy drift too large 3.67003776225527
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itsplit 1
- acceleration/energy drift too large 2.75328190949690
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itsplit 1
- acceleration/energy drift too large 2.35112883529983
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itsplit 1
- acceleration/energy drift too large 5.80809121571118
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itsplit 1
- acceleration/energy drift too large 5.01536206161786
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itsplit 1
- acceleration/energy drift too large 4.47633357145611
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itsplit 1
- acceleration/energy drift too large 2.82972603297758
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itsplit 1
- acceleration/energy drift too large 4.32420038756034
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itsplit 1
- acceleration/energy drift too large 4.83962322937514
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itsplit 1
- acceleration/energy drift too large 5.15696014276171
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itsplit 1
- acceleration/energy drift too large 2.87939585213392
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itsplit 1
- acceleration/energy drift too large 3.42264681284423
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itsplit 1
- acceleration/energy drift too large 6.57253370806224
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itsplit 1
- acceleration/energy drift too large 2.41456646066030
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itsplit 1
- acceleration/energy drift too large 4.80970807440621
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itsplit 1
- acceleration/energy drift too large 2.57759913654621
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itsplit 1
- acceleration/energy drift too large 6.03613192086544
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itsplit 1
- acceleration/energy drift too large 4.90737269119275
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itsplit 1
- acceleration/energy drift too large 4.36996323120392
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itsplit 1
- acceleration/energy drift too large 4.48778991248124
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itsplit 1
- acceleration/energy drift too large 3.87046362045486
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itsplit 1
- acceleration/energy drift too large 10.6725457043836
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itsplit 1
- acceleration/energy drift too large 3.94201417312254
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itsplit 1
- acceleration/energy drift too large 3.72648927048386
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itsplit 1
- acceleration/energy drift too large 2.38885628597045
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itsplit 1
- acceleration/energy drift too large 2.89956347876834
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itsplit 1
- acceleration/energy drift too large 2.86684482122523
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itsplit 1
- acceleration/energy drift too large 5.07210840207462
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itsplit 1
- acceleration/energy drift too large 5.93242141497752
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itsplit 1
- acceleration/energy drift too large 5.32061170506246
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itsplit 1
- acceleration/energy drift too large 9.96410091291693
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itsplit 1
- acceleration/energy drift too large 3.45127606367486
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itsplit 1
- acceleration/energy drift too large 5.70434711074901
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 4.66300525012313
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itsplit 1
- acceleration/energy drift too large 2.49238883186510
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itsplit 1
- acceleration/energy drift too large 6.61738836474461
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itsplit 1
- acceleration/energy drift too large 5.95763088013116
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itsplit 1
- acceleration/energy drift too large 1.96798709967086
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itsplit 1
- acceleration/energy drift too large 2.61657054059635
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 1.51689338462515
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 7.28101088752383
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itsplit 1
- acceleration/energy drift too large 1.47894968345552
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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itsplit 2
- acceleration/energy drift too large 4.42597474910102
- 10.3873239199870 split increased to 2 itime 383398
- itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 6.22224590320130
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itsplit 1
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+ acceleration/energy drift too large 2.44173381520636
+ 13.8192908210974 split increased to 2 itime 595446
itsplit 1
- acceleration/energy drift too large 2.38609605549212
- 13.4442311340799 split increased to 2 itime 391173
+ acceleration/energy drift too large 9.69263911904402
+ 44.3222562049126 split increased to 2 itime 597435
itsplit 1
- acceleration/energy drift too large 4.87185971377541
- 13.2555572989754 split increased to 2 itime 393717
+ acceleration/energy drift too large 12.0335115752171
+ 57.6104710240538 split increased to 2 itime 598577
itsplit 1
- acceleration/energy drift too large 2.84827685267221
- 11.7992910888368 split increased to 2 itime 395735
- itsplit 1
- acceleration/energy drift too large 3.06688128461116
- 18.2177494315470 split increased to 2 itime 396129
- itsplit 1
- acceleration/energy drift too large 4.94959495163784
- 21.9428922034808 split increased to 2 itime 396665
- itsplit 1
- acceleration/energy drift too large 6.00282177724514
- 15.2674391807296 split increased to 2 itime 398049
- itsplit 1
- acceleration/energy drift too large 6.14389501012137
- 25.8228966295308 split increased to 2 itime 398140
- itsplit 1
- acceleration/energy drift too large 3.87032505194854
- 10.0387349716506 split increased to 2 itime 398418
- itsplit 1
- acceleration/energy drift too large 2.70013772758495
- 12.5987823780450 split increased to 2 itime 399311
+ acceleration/energy drift too large 2.79641289552280
+ 13.4043077783830 split increased to 4 itime 598577
+ itsplit 2
+ acceleration/energy drift too large 2.22726855821489
+ 10.1267312261811 split increased to 2 itime 599309
itsplit 1
- REMD synchro at 400000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ REMD synchro at 600000
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 184.914062500000 0.000000000000000E+000
- REMD writing rst time= 0.000000000000000E+000
- REMD writing traj time= 3.906250000000000E-003
+ REMD gather times= 237.109375000000 0.000000000000000E+000
+ REMD writing rst time= 3.906250000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
NREP 16
-ACC 1 250.00000 0.50000 4
-ACC 2 260.00000 0.25000 4
-ACC 3 270.00000 1.00000 4
-ACC 4 280.00000 0.75000 4
-ACC 5 290.00000 0.50000 4
-ACC 6 300.00000 0.50000 4
-ACC 7 310.00000 0.50000 4
-ACC 8 320.00000 0.50000 4
-ACC 9 330.00000 1.00000 4
-ACC 10 340.00000 0.25000 4
-ACC 11 350.00000 1.00000 4
-ACC 12 360.00000 1.00000 4
-ACC 13 370.00000 0.75000 4
-ACC 14 380.00000 1.00000 4
-ACC 15 390.00000 0.75000 4
+ACC 1 250.00000 0.16667 6
+ACC 2 260.00000 1.00000 6
+ACC 3 270.00000 0.33333 6
+ACC 4 280.00000 0.50000 6
+ACC 5 290.00000 0.66667 6
+ACC 6 300.00000 1.00000 6
+ACC 7 310.00000 0.50000 6
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 5.85520537392789
- 11.1914277030609 split increased to 2 itime 401084
- itsplit 1
- acceleration/energy drift too large 5.47528736735100
- 39.9006581618372 split increased to 2 itime 401233
- itsplit 1
- acceleration/energy drift too large 6.24649165066902
- 26.3496783631124 split increased to 2 itime 401287
+ acceleration/energy drift too large 5.58546343444704
+ 15.0548641884903 split increased to 2 itime 601878
itsplit 1
- acceleration/energy drift too large 5.03548107969719
- 27.8360541468611 split increased to 2 itime 401288
+ acceleration/energy drift too large 5.52809146262567
+ 17.4916928437900 split increased to 2 itime 602411
itsplit 1
- acceleration/energy drift too large 4.55219546603872
- 18.7432090374252 split increased to 2 itime 401553
+ acceleration/energy drift too large 5.27520661432915
+ 28.4260245745983 split increased to 2 itime 604903
itsplit 1
- acceleration/energy drift too large 3.79570344607287
- 16.7536089092949 split increased to 2 itime 402000
+ acceleration/energy drift too large 10.7091604673618
+ 48.6458205610094 split increased to 2 itime 605354
itsplit 1
- acceleration/energy drift too large 19.9538723098051
- 136.778879083221 split increased to 2 itime 402813
+ acceleration/energy drift too large 13.3983519341439
+ 68.9624238506460 split increased to 2 itime 605983
itsplit 1
- acceleration/energy drift too large 11.9273881298698
- 68.8112888160456 split increased to 2 itime 403052
- itsplit 1
- acceleration/energy drift too large 5.64835318644978
- 15.6124278053436 split increased to 2 itime 403166
- itsplit 1
- acceleration/energy drift too large 4.90839944700627
- 25.4769502323614 split increased to 2 itime 403544
- itsplit 1
- acceleration/energy drift too large 6.37483150377316
- 25.2365959619238 split increased to 2 itime 403869
- itsplit 1
- acceleration/energy drift too large 11.5227019908042
- 55.4968938038695 split increased to 2 itime 405255
- itsplit 1
- acceleration/energy drift too large 3.02220635939265
- 14.2158428337146 split increased to 2 itime 405801
- itsplit 1
- acceleration/energy drift too large 5.47772949901818
- 26.0468157683956 split increased to 2 itime 406650
- itsplit 1
- acceleration/energy drift too large 4.88367454625760
- 24.9833620350021 split increased to 2 itime 408576
- itsplit 1
- acceleration/energy drift too large 2.96324011873706
- 15.6625400097054 split increased to 2 itime 409020
- itsplit 1
- acceleration/energy drift too large 12.0546227442799
- 53.2811483112195 split increased to 2 itime 410659
- itsplit 1
- acceleration/energy drift too large 4.83647582607957
- 11.2679320782354 split increased to 2 itime 413242
- itsplit 1
- acceleration/energy drift too large 5.42412142214840
- 25.6003831424766 split increased to 2 itime 413823
- itsplit 1
- acceleration/energy drift too large 4.12084032632098
- 22.1955863811513 split increased to 2 itime 413826
- itsplit 1
- acceleration/energy drift too large 4.35494142265173
- 16.2509414984561 split increased to 2 itime 417039
- itsplit 1
- acceleration/energy drift too large 3.01559189654776
- 13.6322158034792 split increased to 2 itime 417578
- itsplit 1
- acceleration/energy drift too large 3.02249475457727
- 13.0137770781576 split increased to 2 itime 417598
- itsplit 1
- acceleration/energy drift too large 5.99913042454337
- 11.6864538119046 split increased to 2 itime 418902
- itsplit 1
- acceleration/energy drift too large 8.01148815591671
- 20.2788100622780 split increased to 2 itime 420993
- itsplit 1
- acceleration/energy drift too large 4.91828907585418
- 15.8151143999596 split increased to 2 itime 421330
- itsplit 1
- acceleration/energy drift too large 2.85665406457499
- 15.3684988491513 split increased to 2 itime 422274
- itsplit 1
- acceleration/energy drift too large 2.99880757950521
- 20.7329257606512 split increased to 2 itime 423159
- itsplit 1
- acceleration/energy drift too large 6.37421859212173
- 11.6086908359721 split increased to 2 itime 425490
- itsplit 1
- acceleration/energy drift too large 5.02234296771294
- 23.7231399436101 split increased to 2 itime 425502
- itsplit 1
- acceleration/energy drift too large 5.12132303074461
- 28.7307413438979 split increased to 2 itime 426011
- itsplit 1
- acceleration/energy drift too large 4.28953906808678
- 15.5810539210091 split increased to 2 itime 426986
- itsplit 1
- acceleration/energy drift too large 5.34990711553365
- 21.1831012560758 split increased to 2 itime 427636
- itsplit 1
- acceleration/energy drift too large 2.95240172024907
- 10.2312076087409 split increased to 2 itime 427912
- itsplit 1
- acceleration/energy drift too large 11.3395487901503
- 59.2552800860074 split increased to 2 itime 428078
- itsplit 1
- acceleration/energy drift too large 3.35487217515315
- 10.9826658480654 split increased to 2 itime 429206
- itsplit 1
- acceleration/energy drift too large 4.17974198030410
- 14.0497328569360 split increased to 2 itime 431060
- itsplit 1
- acceleration/energy drift too large 2.40069357778661
- 18.3301511781616 split increased to 2 itime 431061
+ acceleration/energy drift too large 3.16205608757604
+ 15.4900686421038 split increased to 4 itime 605983
+ itsplit 2
+ acceleration/energy drift too large 2.66091884482526
+ 13.3206883662034 split increased to 2 itime 606006
itsplit 1
- acceleration/energy drift too large 2.60319023263794
- 13.4381568243776 split increased to 2 itime 431895
+ acceleration/energy drift too large 6.08358463547764
+ 27.1217834383387 split increased to 2 itime 609632
itsplit 1
- acceleration/energy drift too large 7.68853048176571
- 21.0400435076881 split increased to 2 itime 432669
+ acceleration/energy drift too large 6.25250056843083
+ 11.4491403874430 split increased to 2 itime 609684
itsplit 1
- acceleration/energy drift too large 3.74997833756420
- 11.0986666311506 split increased to 2 itime 432689
+ acceleration/energy drift too large 4.83622938333850
+ 13.0407062469096 split increased to 2 itime 610728
itsplit 1
- acceleration/energy drift too large 4.48348175777877
- 14.3333209238640 split increased to 2 itime 433554
+ acceleration/energy drift too large 2.95605734475806
+ 11.9787969223421 split increased to 2 itime 611550
itsplit 1
- acceleration/energy drift too large 3.20734873633366
- 10.8983630472182 split increased to 2 itime 434040
+ acceleration/energy drift too large 13.4930954611733
+ 73.9062338473796 split increased to 2 itime 614180
itsplit 1
- acceleration/energy drift too large 3.04670744550587
- 16.9233242865536 split increased to 2 itime 434130
+ acceleration/energy drift too large 2.91153716177087
+ 15.8821454416596 split increased to 4 itime 614180
+ itsplit 2
+ acceleration/energy drift too large 4.06572241737329
+ 11.8108467775741 split increased to 2 itime 615925
itsplit 1
- acceleration/energy drift too large 4.64423433484755
- 27.4863813192025 split increased to 2 itime 434237
+ acceleration/energy drift too large 2.62647171683830
+ 13.0013702410149 split increased to 2 itime 616220
itsplit 1
- acceleration/energy drift too large 2.90179637195793
- 11.3017399816840 split increased to 2 itime 434284
+ acceleration/energy drift too large 4.05099726855354
+ 11.3958267635391 split increased to 2 itime 616626
itsplit 1
- acceleration/energy drift too large 5.73018814341032
- 31.7301902903985 split increased to 2 itime 434464
+ acceleration/energy drift too large 4.16491863219391
+ 10.6155862426420 split increased to 2 itime 618680
itsplit 1
- acceleration/energy drift too large 4.09504432219197
- 16.4862347990116 split increased to 2 itime 434572
+ acceleration/energy drift too large 2.41942223273229
+ 10.9988570424266 split increased to 2 itime 622690
itsplit 1
- acceleration/energy drift too large 4.80145640307585
- 22.0339340632197 split increased to 2 itime 435182
+ acceleration/energy drift too large 6.27090818302612
+ 17.8341402870532 split increased to 2 itime 623203
itsplit 1
- acceleration/energy drift too large 4.13076452198420
- 21.5117104689005 split increased to 2 itime 435690
+ acceleration/energy drift too large 3.30319687192904
+ 10.6416920545302 split increased to 2 itime 623301
itsplit 1
- acceleration/energy drift too large 1.73775289702704
- 11.4840716332054 split increased to 2 itime 437247
+ acceleration/energy drift too large 4.41300470265790
+ 11.7638616535732 split increased to 2 itime 627403
itsplit 1
- acceleration/energy drift too large 5.48999206942759
- 34.9135705829164 split increased to 2 itime 437751
+ acceleration/energy drift too large 3.09923768567914
+ 10.7253101609193 split increased to 2 itime 631853
itsplit 1
- acceleration/energy drift too large 3.72428381800589
- 17.2985388005026 split increased to 2 itime 437822
+ acceleration/energy drift too large 5.62796992462099
+ 10.3503562492554 split increased to 2 itime 632864
itsplit 1
- acceleration/energy drift too large 3.27342280752035
- 26.4686091349157 split increased to 2 itime 438342
+ acceleration/energy drift too large 2.96135814596404
+ 10.1756354165387 split increased to 2 itime 635363
itsplit 1
- acceleration/energy drift too large 7.79189491903860
- 29.4669775516769 split increased to 2 itime 438575
+ acceleration/energy drift too large 2.80933381483433
+ 10.3437431241457 split increased to 2 itime 635467
itsplit 1
- acceleration/energy drift too large 5.16801698086677
- 31.8882621646102 split increased to 2 itime 439244
+ acceleration/energy drift too large 3.23269975789914
+ 10.4154201891087 split increased to 2 itime 635502
itsplit 1
- acceleration/energy drift too large 9.18408479538560
- 43.1997932594915 split increased to 2 itime 439449
+ acceleration/energy drift too large 10.4255130609354
+ 47.4938112377871 split increased to 2 itime 638911
itsplit 1
- acceleration/energy drift too large 4.09970844346303
- 13.2471520322388 split increased to 2 itime 439451
+ acceleration/energy drift too large 5.87198866748517
+ 18.7968098752258 split increased to 2 itime 640260
itsplit 1
- acceleration/energy drift too large 4.78958898635655
- 23.9868019719558 split increased to 2 itime 440687
+ acceleration/energy drift too large 1.90355444256178
+ 10.0243694970490 split increased to 2 itime 643660
itsplit 1
- acceleration/energy drift too large 3.83961939949008
- 17.9522818425926 split increased to 2 itime 440953
+ acceleration/energy drift too large 6.00662908239308
+ 18.5934523705130 split increased to 2 itime 646880
itsplit 1
- acceleration/energy drift too large 3.59295343388282
- 14.8007912762092 split increased to 2 itime 442747
+ acceleration/energy drift too large 7.49660344390383
+ 20.5238748314072 split increased to 2 itime 647821
itsplit 1
- acceleration/energy drift too large 3.27154019479899
- 20.2807578406019 split increased to 2 itime 442977
+ acceleration/energy drift too large 2.73347226218210
+ 10.6018274332205 split increased to 2 itime 651091
itsplit 1
- acceleration/energy drift too large 5.31929647508473
- 16.3257038680913 split increased to 2 itime 444172
+ acceleration/energy drift too large 4.95846274240792
+ 17.4485778837620 split increased to 2 itime 651610
itsplit 1
- acceleration/energy drift too large 5.05091822853998
- 10.2937212369324 split increased to 2 itime 445847
+ acceleration/energy drift too large 4.45714053539027
+ 13.3830812958228 split increased to 2 itime 651859
itsplit 1
- acceleration/energy drift too large 6.81897530390985
- 19.0702254260379 split increased to 2 itime 447267
+ acceleration/energy drift too large 5.22466369019300
+ 13.5535213352147 split increased to 2 itime 651860
itsplit 1
- acceleration/energy drift too large 8.84860238142054
- 30.3071608394985 split increased to 2 itime 447472
+ acceleration/energy drift too large 3.83020050998954
+ 12.3136388280477 split increased to 2 itime 654074
itsplit 1
- acceleration/energy drift too large 4.60804289581258
- 11.3648340782750 split increased to 2 itime 447524
+ acceleration/energy drift too large 8.19583179155746
+ 26.5283706841122 split increased to 2 itime 656670
itsplit 1
- acceleration/energy drift too large 4.51462168534791
- 18.7633552544577 split increased to 2 itime 449284
+ acceleration/energy drift too large 5.52015940770695
+ 30.6647644951820 split increased to 2 itime 656826
itsplit 1
- acceleration/energy drift too large 6.50539329350082
- 14.3662250443147 split increased to 2 itime 451754
+ acceleration/energy drift too large 6.15072083966337
+ 16.7381585501766 split increased to 2 itime 657528
itsplit 1
- acceleration/energy drift too large 5.99102483501965
- 14.8406043192281 split increased to 2 itime 453255
+ acceleration/energy drift too large 3.35944508135426
+ 13.3468361226162 split increased to 2 itime 657566
itsplit 1
- acceleration/energy drift too large 2.34283276344341
- 10.8449788881703 split increased to 2 itime 454881
+ acceleration/energy drift too large 3.92379124958539
+ 23.8904289152300 split increased to 2 itime 660743
itsplit 1
- acceleration/energy drift too large 2.88862527983168
- 10.6158020828451 split increased to 2 itime 456046
+ acceleration/energy drift too large 6.27215536868314
+ 19.7485597493940 split increased to 2 itime 660953
itsplit 1
- acceleration/energy drift too large 3.45224943509093
- 27.3806423741949 split increased to 2 itime 460953
+ acceleration/energy drift too large 5.58874584037967
+ 21.3180473977209 split increased to 2 itime 662305
itsplit 1
- acceleration/energy drift too large 9.78608930179663
- 65.6222759930618 split increased to 2 itime 461725
+ acceleration/energy drift too large 2.47105745086375
+ 10.8315379730362 split increased to 2 itime 664015
itsplit 1
- acceleration/energy drift too large 2.61505775112932
- 10.3176720714059 split increased to 2 itime 462973
+ acceleration/energy drift too large 4.14784651207851
+ 12.6777020756079 split increased to 2 itime 664447
itsplit 1
- acceleration/energy drift too large 3.23564212626803
- 11.5624323967677 split increased to 2 itime 463795
+ acceleration/energy drift too large 6.61942475059945
+ 22.7582893899522 split increased to 2 itime 666018
itsplit 1
- acceleration/energy drift too large 5.85576824463566
- 36.5527882995749 split increased to 2 itime 464010
+ acceleration/energy drift too large 6.05590419311435
+ 16.7644675771342 split increased to 2 itime 666084
itsplit 1
- acceleration/energy drift too large 9.92886712895449
- 39.4818005433922 split increased to 2 itime 464763
+ acceleration/energy drift too large 4.71957983398420
+ 10.5101148846043 split increased to 2 itime 671495
itsplit 1
- acceleration/energy drift too large 2.31155506361289
- 12.3737241897432 split increased to 2 itime 465120
+ acceleration/energy drift too large 5.87757269010418
+ 14.7966932352975 split increased to 2 itime 676781
itsplit 1
- acceleration/energy drift too large 5.71029719713249
- 12.9447391886482 split increased to 2 itime 465304
+ acceleration/energy drift too large 4.70268396608510
+ 11.6312329467050 split increased to 2 itime 680262
itsplit 1
- acceleration/energy drift too large 3.71529365486043
- 10.5965546312035 split increased to 2 itime 465408
+ acceleration/energy drift too large 2.30741255261367
+ 12.7487854698828 split increased to 2 itime 683617
itsplit 1
- acceleration/energy drift too large 5.04095527802420
- 16.6845067872505 split increased to 2 itime 466581
+ acceleration/energy drift too large 2.67744296955034
+ 10.8174126600248 split increased to 2 itime 684868
itsplit 1
- acceleration/energy drift too large 3.17881117329178
- 10.9486141388178 split increased to 2 itime 466652
+ acceleration/energy drift too large 2.24912250262123
+ 10.0170929220302 split increased to 2 itime 684964
itsplit 1
- acceleration/energy drift too large 6.12340982716428
- 12.3587224576679 split increased to 2 itime 467446
+ acceleration/energy drift too large 4.56958484558269
+ 11.9543016156776 split increased to 2 itime 685024
itsplit 1
- acceleration/energy drift too large 6.42261678838877
- 14.3127974791671 split increased to 2 itime 468163
+ acceleration/energy drift too large 4.69120876127575
+ 13.2506867305285 split increased to 2 itime 685270
itsplit 1
- acceleration/energy drift too large 5.34804721191135
- 25.1248262260255 split increased to 2 itime 470390
+ acceleration/energy drift too large 4.24753499051130
+ 14.0617669655862 split increased to 2 itime 686190
itsplit 1
- acceleration/energy drift too large 2.78242516931406
- 24.5686548768749 split increased to 2 itime 470391
+ acceleration/energy drift too large 5.65742273820710
+ 15.3199501889026 split increased to 2 itime 691808
itsplit 1
- acceleration/energy drift too large 5.40759402244583
- 12.4338366409876 split increased to 2 itime 471315
+ acceleration/energy drift too large 2.71552843573751
+ 20.9363108725842 split increased to 2 itime 696360
itsplit 1
- acceleration/energy drift too large 3.43462081885611
- 10.4570252408813 split increased to 2 itime 473371
+ acceleration/energy drift too large 2.68882845348470
+ 10.8476205629594 split increased to 2 itime 696431
itsplit 1
- acceleration/energy drift too large 4.21024612642277
- 12.2012163864496 split increased to 2 itime 473849
+ acceleration/energy drift too large 2.55133505303908
+ 10.0691708036634 split increased to 2 itime 696453
itsplit 1
- acceleration/energy drift too large 6.47248342585038
- 23.2750175444231 split increased to 2 itime 476562
+ REMD synchro at 700000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 277.035156250000 0.000000000000000E+000
+ REMD writing rst time= 7.812500000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
+ NREP 16
+ACC 1 250.00000 0.14286 7
+ACC 2 260.00000 0.85714 7
+ACC 3 270.00000 0.42857 7
+ACC 4 280.00000 0.42857 7
+ACC 5 290.00000 0.57143 7
+ACC 6 300.00000 1.00000 7
+ACC 7 310.00000 0.57143 7
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 7.812500000000000E-003
+ acceleration/energy drift too large 6.22266890588796
+ 12.6661075702502 split increased to 2 itime 700068
itsplit 1
- acceleration/energy drift too large 4.40857045858804
- 10.2928721662550 split increased to 2 itime 476563
+ acceleration/energy drift too large 9.51331039119436
+ 46.5884930839135 split increased to 2 itime 702152
itsplit 1
- acceleration/energy drift too large 5.73203882604110
- 12.9272193324235 split increased to 2 itime 477965
+ acceleration/energy drift too large 3.96521624926443
+ 13.5199319773856 split increased to 2 itime 703020
itsplit 1
- acceleration/energy drift too large 4.59792919422320
- 23.9741804227690 split increased to 2 itime 478397
+ acceleration/energy drift too large 2.31769733540108
+ 11.2623959237660 split increased to 2 itime 703713
itsplit 1
- acceleration/energy drift too large 2.12848418843641
- 12.8294118053031 split increased to 2 itime 479376
+ acceleration/energy drift too large 3.14013338796327
+ 10.1392006128887 split increased to 2 itime 704579
itsplit 1
- acceleration/energy drift too large 3.34277430445103
- 10.2341156419797 split increased to 2 itime 479989
+ acceleration/energy drift too large 4.30260026694695
+ 10.8277639501245 split increased to 2 itime 704633
itsplit 1
- acceleration/energy drift too large 4.10294673604326
- 10.9425615649003 split increased to 2 itime 479994
+ acceleration/energy drift too large 3.79340602147752
+ 10.2174202512299 split increased to 2 itime 704653
itsplit 1
- acceleration/energy drift too large 3.91353713989020
- 10.0254200136228 split increased to 2 itime 480019
+ acceleration/energy drift too large 3.90712629883964
+ 10.7558970446412 split increased to 2 itime 704697
itsplit 1
- acceleration/energy drift too large 12.7928639463399
- 60.6093307597738 split increased to 2 itime 481130
+ acceleration/energy drift too large 2.57072438235097
+ 10.1708785450332 split increased to 2 itime 704714
itsplit 1
- acceleration/energy drift too large 4.54190447801872
- 15.0966623236882 split increased to 2 itime 481436
+ acceleration/energy drift too large 2.32481535748189
+ 10.0992584273175 split increased to 2 itime 704731
itsplit 1
- acceleration/energy drift too large 11.3750151483190
- 50.8460668713684 split increased to 2 itime 485004
+ acceleration/energy drift too large 2.99259910061795
+ 11.9263837798394 split increased to 2 itime 704803
itsplit 1
- acceleration/energy drift too large 2.95385848089599
- 14.3594193685555 split increased to 4 itime 485004
- itsplit 2
- acceleration/energy drift too large 6.73781478793935
- 32.9454284995317 split increased to 2 itime 485322
+ acceleration/energy drift too large 2.82185404611476
+ 11.7890904603667 split increased to 2 itime 704809
itsplit 1
- acceleration/energy drift too large 5.75179019349930
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itsplit 1
- acceleration/energy drift too large 3.71394957508847
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itsplit 1
- acceleration/energy drift too large 5.30188558781754
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itsplit 1
- acceleration/energy drift too large 4.55094542654810
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itsplit 1
- acceleration/energy drift too large 4.80713564381476
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itsplit 1
- acceleration/energy drift too large 3.66561499835934
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itsplit 1
- acceleration/energy drift too large 3.95819541109023
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itsplit 1
- acceleration/energy drift too large 4.20281664887109
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itsplit 1
- acceleration/energy drift too large 3.80692589539098
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itsplit 1
- acceleration/energy drift too large 4.18003772677921
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itsplit 1
- acceleration/energy drift too large 4.36529927874289
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itsplit 1
- acceleration/energy drift too large 4.19693770726016
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itsplit 1
- acceleration/energy drift too large 6.53661152734394
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itsplit 1
- acceleration/energy drift too large 3.22997621892815
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itsplit 1
- REMD synchro at 500000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 230.730468750000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 0.000000000000000E+000
- NREP 16
-ACC 1 250.00000 0.40000 5
-ACC 2 260.00000 0.40000 5
-ACC 3 270.00000 1.00000 5
-ACC 4 280.00000 0.60000 5
-ACC 5 290.00000 0.40000 5
-ACC 6 300.00000 0.60000 5
-ACC 7 310.00000 0.60000 5
-ACC 8 320.00000 0.40000 5
-ACC 9 330.00000 1.00000 5
-ACC 10 340.00000 0.40000 5
-ACC 11 350.00000 1.00000 5
-ACC 12 360.00000 1.00000 5
-ACC 13 370.00000 0.80000 5
-ACC 14 380.00000 0.80000 5
-ACC 15 390.00000 0.80000 5
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 7.30114365090927
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itsplit 1
- acceleration/energy drift too large 6.26211787725750
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itsplit 1
- acceleration/energy drift too large 2.81716055666825
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itsplit 1
- acceleration/energy drift too large 2.46298337975733
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itsplit 1
- acceleration/energy drift too large 3.43937504573531
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itsplit 1
- acceleration/energy drift too large 2.97273473172716
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itsplit 1
- acceleration/energy drift too large 4.23642920834176
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itsplit 1
- acceleration/energy drift too large 5.70728485372897
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itsplit 1
- acceleration/energy drift too large 5.45159875596180
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itsplit 1
- acceleration/energy drift too large 4.55455490539076
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itsplit 1
- acceleration/energy drift too large 5.27560899024421
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itsplit 1
- acceleration/energy drift too large 3.79898697287969
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itsplit 1
- acceleration/energy drift too large 3.08504290932879
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itsplit 1
- acceleration/energy drift too large 2.37603168964617
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itsplit 1
- acceleration/energy drift too large 3.32873269198684
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itsplit 1
- acceleration/energy drift too large 2.60979726024562
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itsplit 1
- acceleration/energy drift too large 5.07575040208828
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itsplit 1
- acceleration/energy drift too large 4.20209240193991
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itsplit 1
- acceleration/energy drift too large 13.4082027926156
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itsplit 1
- acceleration/energy drift too large 3.80119032501309
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itsplit 1
- acceleration/energy drift too large 2.98605614779717
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itsplit 1
- acceleration/energy drift too large 9.57394826980568
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itsplit 1
- acceleration/energy drift too large 4.02730862918485
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itsplit 1
- acceleration/energy drift too large 3.46246317816392
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itsplit 1
- acceleration/energy drift too large 4.04660294147892
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itsplit 1
- acceleration/energy drift too large 5.55080564240151
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itsplit 1
- acceleration/energy drift too large 6.63989027623059
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itsplit 1
- acceleration/energy drift too large 2.81050018221707
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itsplit 1
- acceleration/energy drift too large 5.95284111627369
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itsplit 1
- acceleration/energy drift too large 7.09360729157836
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itsplit 1
- acceleration/energy drift too large 5.63880785662400
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itsplit 1
- acceleration/energy drift too large 2.49437492343314
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itsplit 1
- acceleration/energy drift too large 3.63743535995864
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itsplit 1
- acceleration/energy drift too large 3.95117335442258
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itsplit 1
- acceleration/energy drift too large 4.74935729339690
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itsplit 1
- acceleration/energy drift too large 10.0884893980159
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itsplit 1
- acceleration/energy drift too large 4.71146897940437
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+ itsplit 2
+ acceleration/energy drift too large 8.01415033522304
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itsplit 1
- acceleration/energy drift too large 3.62359574299086
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itsplit 1
- acceleration/energy drift too large 2.86531866870884
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itsplit 1
- acceleration/energy drift too large 9.07946034675849
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itsplit 1
- acceleration/energy drift too large 4.92664549662622
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itsplit 1
- acceleration/energy drift too large 3.63167671454263
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itsplit 1
- acceleration/energy drift too large 6.14833937579058
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itsplit 1
- acceleration/energy drift too large 5.31218597606807
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itsplit 1
- acceleration/energy drift too large 3.94915216318044
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itsplit 1
- acceleration/energy drift too large 6.56317583403199
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itsplit 1
- acceleration/energy drift too large 6.05701461196987
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itsplit 1
- acceleration/energy drift too large 7.44675016186477
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itsplit 1
- acceleration/energy drift too large 4.81307184554761
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itsplit 1
- acceleration/energy drift too large 3.75155236127697
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itsplit 1
- acceleration/energy drift too large 3.67570471140136
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itsplit 1
- acceleration/energy drift too large 1.87697756897298
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itsplit 1
- acceleration/energy drift too large 5.56461665357079
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itsplit 1
- acceleration/energy drift too large 5.36236926383735
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itsplit 1
- acceleration/energy drift too large 6.43929639997378
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itsplit 1
- acceleration/energy drift too large 3.69808561086469
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itsplit 1
- acceleration/energy drift too large 2.38671373076949
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itsplit 1
- acceleration/energy drift too large 6.41069769738161
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itsplit 1
- acceleration/energy drift too large 5.82872781088437
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itsplit 1
- acceleration/energy drift too large 4.97331465591048
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itsplit 1
- acceleration/energy drift too large 5.83891992281162
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itsplit 1
- acceleration/energy drift too large 4.98708412964233
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itsplit 1
- acceleration/energy drift too large 4.31776881096963
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itsplit 1
- acceleration/energy drift too large 3.28643854525381
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itsplit 1
- acceleration/energy drift too large 2.95839716723756
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 2.43675816113552
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 5.13643172748779
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 2.89715010258460
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 6.01090090755401
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+ acceleration/energy drift too large 9.28235213637268
+ 31.8161089853804 split increased to 2 itime 786211
itsplit 1
- acceleration/energy drift too large 6.08372077980445
- 14.8411270843003 split increased to 2 itime 589780
+ acceleration/energy drift too large 6.56612847390236
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itsplit 1
- acceleration/energy drift too large 2.47645235877464
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+ acceleration/energy drift too large 4.79753464246649
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itsplit 1
- acceleration/energy drift too large 3.83621357893593
- 16.0376715411910 split increased to 2 itime 593076
+ acceleration/energy drift too large 4.53001944401006
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itsplit 1
- acceleration/energy drift too large 2.86916728074083
- 18.4363552986017 split increased to 2 itime 593480
+ acceleration/energy drift too large 3.52590185762793
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itsplit 1
- acceleration/energy drift too large 3.98869822545720
- 17.7868674122062 split increased to 2 itime 594524
+ acceleration/energy drift too large 3.24628595522011
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itsplit 1
- acceleration/energy drift too large 4.63749766789932
- 16.0839694610795 split increased to 2 itime 594574
+ acceleration/energy drift too large 8.13555058663948
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itsplit 1
- acceleration/energy drift too large 2.41391982523621
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+ acceleration/energy drift too large 4.97947890777512
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itsplit 1
- acceleration/energy drift too large 3.00813134160393
- 10.8179363274071 split increased to 2 itime 595453
+ acceleration/energy drift too large 3.14323754984929
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itsplit 1
- acceleration/energy drift too large 5.48395278199503
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+ acceleration/energy drift too large 2.93611998222082
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itsplit 1
- acceleration/energy drift too large 3.51163075698958
- 12.5492787586556 split increased to 2 itime 596076
+ acceleration/energy drift too large 4.83192823545234
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itsplit 1
- acceleration/energy drift too large 4.66035840547395
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+ acceleration/energy drift too large 4.56230792637775
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itsplit 1
- acceleration/energy drift too large 3.93737093129494
- 16.6011628452674 split increased to 2 itime 597474
+ acceleration/energy drift too large 2.65443967226289
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itsplit 1
- acceleration/energy drift too large 4.02003887033967
- 12.4515520434023 split increased to 2 itime 597660
+ acceleration/energy drift too large 1.98530114114582
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itsplit 1
- acceleration/energy drift too large 3.16871837796467
- 13.3445464973711 split increased to 2 itime 597685
+ acceleration/energy drift too large 3.72021028707633
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itsplit 1
- acceleration/energy drift too large 2.63213636543151
- 11.6412359757452 split increased to 2 itime 599844
+ acceleration/energy drift too large 3.61728738110863
+ 11.1272742839188 split increased to 2 itime 797798
itsplit 1
- REMD synchro at 600000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ REMD synchro at 800000
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 277.093750000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 316.710937500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 3.906250000000000E-003
NREP 16
-ACC 1 250.00000 0.33333 6
-ACC 2 260.00000 0.33333 6
-ACC 3 270.00000 1.00000 6
-ACC 4 280.00000 0.66667 6
-ACC 5 290.00000 0.33333 6
-ACC 6 300.00000 0.66667 6
-ACC 7 310.00000 0.66667 6
-ACC 8 320.00000 0.33333 6
-ACC 9 330.00000 1.00000 6
-ACC 10 340.00000 0.50000 6
-ACC 11 350.00000 1.00000 6
-ACC 12 360.00000 1.00000 6
-ACC 13 370.00000 0.83333 6
-ACC 14 380.00000 0.83333 6
-ACC 15 390.00000 0.83333 6
+ACC 1 250.00000 0.12500 8
+ACC 2 260.00000 0.87500 8
+ACC 3 270.00000 0.37500 8
+ACC 4 280.00000 0.37500 8
+ACC 5 290.00000 0.50000 8
+ACC 6 300.00000 1.00000 8
+ACC 7 310.00000 0.50000 8
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 7.01611464883391
- 44.3108189806254 split increased to 2 itime 601387
- itsplit 1
- acceleration/energy drift too large 5.69333424049076
- 10.3163268292654 split increased to 2 itime 601403
- itsplit 1
- acceleration/energy drift too large 4.16917560536961
- 10.8427023909753 split increased to 2 itime 601711
- itsplit 1
- acceleration/energy drift too large 5.35440879182324
- 28.4311634772663 split increased to 2 itime 602360
- itsplit 1
- acceleration/energy drift too large 4.48804727528191
- 11.2325500361377 split increased to 2 itime 602451
- itsplit 1
- acceleration/energy drift too large 3.43990955306464
- 10.1672216914247 split increased to 2 itime 602519
- itsplit 1
- acceleration/energy drift too large 5.70808053562732
- 11.5910532056009 split increased to 2 itime 604307
- itsplit 1
- acceleration/energy drift too large 5.47660466565129
- 26.3638007120320 split increased to 2 itime 604766
- itsplit 1
- acceleration/energy drift too large 2.39706342402944
- 12.9398969113297 split increased to 2 itime 604770
- itsplit 1
- acceleration/energy drift too large 3.14563232042270
- 16.2269576200364 split increased to 2 itime 604771
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 3.04759777189784
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itsplit 1
- acceleration/energy drift too large 3.44497706677758
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itsplit 1
- acceleration/energy drift too large 5.28734884359665
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itsplit 1
- acceleration/energy drift too large 5.83948179762637
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itsplit 1
- acceleration/energy drift too large 3.58154961261564
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+ acceleration/energy drift too large 2.20186141875850
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itsplit 1
- acceleration/energy drift too large 3.21590251787873
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+ acceleration/energy drift too large 3.26888472192852
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itsplit 1
- acceleration/energy drift too large 3.39344636872984
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+ acceleration/energy drift too large 7.35738879298710
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itsplit 1
- acceleration/energy drift too large 3.28524809087988
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+ acceleration/energy drift too large 5.99982704607795
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itsplit 1
- acceleration/energy drift too large 2.46838488797357
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itsplit 1
- acceleration/energy drift too large 3.06744166322062
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itsplit 1
- acceleration/energy drift too large 4.64026065121936
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itsplit 1
- acceleration/energy drift too large 3.16764544630323
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itsplit 1
- acceleration/energy drift too large 4.66786541890788
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itsplit 1
- acceleration/energy drift too large 4.74019081154017
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itsplit 1
- acceleration/energy drift too large 4.66236926285537
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itsplit 1
- acceleration/energy drift too large 2.77756234896973
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itsplit 1
- acceleration/energy drift too large 2.84883714639050
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itsplit 1
- acceleration/energy drift too large 3.53160122879718
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itsplit 1
- acceleration/energy drift too large 2.33385373566345
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itsplit 1
- acceleration/energy drift too large 5.56107298895505
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itsplit 1
- acceleration/energy drift too large 5.50582967897067
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itsplit 1
- acceleration/energy drift too large 5.08559012744575
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itsplit 1
- acceleration/energy drift too large 5.48599512431033
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itsplit 1
- acceleration/energy drift too large 4.28485971507573
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itsplit 1
- acceleration/energy drift too large 4.41954986475502
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itsplit 1
- acceleration/energy drift too large 6.38121746961199
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itsplit 1
- acceleration/energy drift too large 5.31948613696339
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itsplit 1
- acceleration/energy drift too large 5.94743040221702
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+ acceleration/energy drift too large 6.70091105106446
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itsplit 1
- acceleration/energy drift too large 5.44936880944909
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itsplit 1
- acceleration/energy drift too large 4.12066793546654
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itsplit 1
- acceleration/energy drift too large 10.8229962009036
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itsplit 1
- acceleration/energy drift too large 5.48929827706529
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itsplit 1
- acceleration/energy drift too large 4.70070977011950
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itsplit 1
- acceleration/energy drift too large 7.05546238999264
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itsplit 1
- acceleration/energy drift too large 3.82522694402992
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+ acceleration/energy drift too large 3.78413427004312
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itsplit 1
- acceleration/energy drift too large 4.49011694859123
- 10.3650071973379 split increased to 2 itime 621584
+ acceleration/energy drift too large 10.4467310552014
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itsplit 1
- acceleration/energy drift too large 3.18478992178142
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+ acceleration/energy drift too large 10.6572572005651
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itsplit 1
- acceleration/energy drift too large 4.44770134326738
- 16.0218159993251 split increased to 2 itime 623026
+ acceleration/energy drift too large 10.5187685685253
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itsplit 1
- acceleration/energy drift too large 3.57316351360784
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+ acceleration/energy drift too large 3.77028861361857
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itsplit 1
- acceleration/energy drift too large 6.51212376695020
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+ acceleration/energy drift too large 3.93731307191247
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itsplit 1
- acceleration/energy drift too large 11.5112229520201
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+ acceleration/energy drift too large 6.77690029195726
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itsplit 1
- acceleration/energy drift too large 2.84191768254016
- 11.8704055174515 split increased to 2 itime 625062
+ acceleration/energy drift too large 5.37345742277203
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itsplit 1
- acceleration/energy drift too large 2.38963857434066
- 17.1227200350575 split increased to 2 itime 625202
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itsplit 1
- acceleration/energy drift too large 3.15468649133609
- 11.0545510277622 split increased to 2 itime 626338
+ acceleration/energy drift too large 8.78794325347103
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itsplit 1
- acceleration/energy drift too large 8.41484172183330
- 39.7728346210958 split increased to 2 itime 626484
+ acceleration/energy drift too large 6.06118199381852
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itsplit 1
- acceleration/energy drift too large 5.17975557333606
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itsplit 1
- acceleration/energy drift too large 4.32563097210714
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itsplit 1
- acceleration/energy drift too large 5.72519385479251
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itsplit 1
- acceleration/energy drift too large 3.15041265214688
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itsplit 1
- acceleration/energy drift too large 1.56911078218525
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itsplit 1
- acceleration/energy drift too large 5.43514594073498
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itsplit 1
- acceleration/energy drift too large 2.49825465329791
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itsplit 1
- acceleration/energy drift too large 1.77730857956000
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itsplit 1
- acceleration/energy drift too large 2.77029335537128
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itsplit 1
- acceleration/energy drift too large 5.77958538136666
- 40.8766887743410 split increased to 2 itime 633917
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itsplit 1
- acceleration/energy drift too large 1.88144448230143
- 14.2637064350191 split increased to 2 itime 635772
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itsplit 1
- acceleration/energy drift too large 4.85708982862033
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itsplit 1
- acceleration/energy drift too large 3.55146321580549
- 17.1834126790529 split increased to 2 itime 635798
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itsplit 1
- acceleration/energy drift too large 3.66981776368006
- 11.6894397266654 split increased to 2 itime 635810
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itsplit 1
- acceleration/energy drift too large 4.56604565392761
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itsplit 1
- acceleration/energy drift too large 6.13617227675648
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itsplit 1
- acceleration/energy drift too large 3.26669422548217
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itsplit 1
- acceleration/energy drift too large 6.28056261063517
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itsplit 1
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itsplit 1
- acceleration/energy drift too large 3.76488202050720
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itsplit 1
- acceleration/energy drift too large 6.97287755725406
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itsplit 1
- acceleration/energy drift too large 3.38991473469239
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itsplit 1
- acceleration/energy drift too large 3.14810670305785
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itsplit 1
- acceleration/energy drift too large 4.27011376107737
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itsplit 1
- acceleration/energy drift too large 4.28406733010742
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itsplit 1
- acceleration/energy drift too large 2.22016379399136
- 10.3017664662474 split increased to 2 itime 643663
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itsplit 1
- acceleration/energy drift too large 5.61748082695504
- 16.8716114529201 split increased to 2 itime 644009
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itsplit 1
- acceleration/energy drift too large 3.04040585700705
- 11.0743266877611 split increased to 2 itime 644346
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itsplit 1
- acceleration/energy drift too large 2.11636150081620
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itsplit 1
- acceleration/energy drift too large 4.21572061183930
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itsplit 1
- acceleration/energy drift too large 2.61165220512462
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itsplit 1
- acceleration/energy drift too large 3.65470321033608
- 13.1009573903030 split increased to 2 itime 644428
+ acceleration/energy drift too large 4.31719594275417
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itsplit 1
- acceleration/energy drift too large 5.40754308168593
- 11.4013108590464 split increased to 2 itime 644436
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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itsplit 1
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- REMD synchro at 700000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 322.960937500000 0.000000000000000E+000
- REMD writing rst time= 0.000000000000000E+000
- REMD writing traj time= 3.906250000000000E-003
- NREP 16
-ACC 1 250.00000 0.28571 7
-ACC 2 260.00000 0.42857 7
-ACC 3 270.00000 0.85714 7
-ACC 4 280.00000 0.71429 7
-ACC 5 290.00000 0.42857 7
-ACC 6 300.00000 0.57143 7
-ACC 7 310.00000 0.71429 7
-ACC 8 320.00000 0.42857 7
-ACC 9 330.00000 0.85714 7
-ACC 10 340.00000 0.57143 7
-ACC 11 350.00000 0.85714 7
-ACC 12 360.00000 1.00000 7
-ACC 13 370.00000 0.85714 7
-ACC 14 380.00000 0.85714 7
-ACC 15 390.00000 0.85714 7
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 7.67693373168728
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- itsplit 1
- acceleration/energy drift too large 7.26824092206445
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- itsplit 1
- acceleration/energy drift too large 9.09844433917664
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- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 13.4314948936223
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- 11.3872837486485 split increased to 2 itime 759617
- itsplit 1
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- itsplit 1
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- 42.9751258620576 split increased to 2 itime 760725
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- 27.2493625922361 split increased to 2 itime 761520
- itsplit 1
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- itsplit 1
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- itsplit 1
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- itsplit 1
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- 24.1460919751378 split increased to 2 itime 784694
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- 25.1125456468146 split increased to 2 itime 786080
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- 22.6096056439088 split increased to 2 itime 786462
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- 31.0913027418259 split increased to 2 itime 787819
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- 13.0515291742615 split increased to 2 itime 787962
- itsplit 1
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- 14.8595968853764 split increased to 2 itime 789618
- itsplit 1
- acceleration/energy drift too large 6.30940218088089
- 15.6898930123500 split increased to 2 itime 789956
- itsplit 1
- acceleration/energy drift too large 2.64014415692489
- 12.9123858455282 split increased to 2 itime 790387
- itsplit 1
- acceleration/energy drift too large 5.18245678023443
- 11.3387144277993 split increased to 2 itime 792660
- itsplit 1
- acceleration/energy drift too large 3.26574007618713
- 10.5120624486394 split increased to 2 itime 792802
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- 15.6410141351750 split increased to 2 itime 793441
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- 20.8461783454793 split increased to 2 itime 793518
- itsplit 1
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- 12.5060376200070 split increased to 2 itime 798148
- itsplit 1
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- itsplit 1
- acceleration/energy drift too large 3.90656914531441
- 11.1030841391892 split increased to 2 itime 799119
- itsplit 1
- REMD synchro at 800000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 370.496093750000 0.000000000000000E+000
- REMD writing rst time= 0.000000000000000E+000
- REMD writing traj time= 7.812500000000000E-003
- NREP 16
-ACC 1 250.00000 0.25000 8
-ACC 2 260.00000 0.37500 8
-ACC 3 270.00000 0.75000 8
-ACC 4 280.00000 0.75000 8
-ACC 5 290.00000 0.50000 8
-ACC 6 300.00000 0.62500 8
-ACC 7 310.00000 0.62500 8
-ACC 8 320.00000 0.50000 8
-ACC 9 330.00000 0.75000 8
-ACC 10 340.00000 0.62500 8
-ACC 11 350.00000 0.87500 8
-ACC 12 360.00000 1.00000 8
-ACC 13 370.00000 0.87500 8
-ACC 14 380.00000 0.87500 8
-ACC 15 390.00000 0.87500 8
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 7.00874419332574
- 11.7928727927577 split increased to 2 itime 800844
- itsplit 1
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- 10.1179677518621 split increased to 2 itime 801336
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- 29.6811686721023 split increased to 2 itime 801947
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- 11.3763125463274 split increased to 2 itime 803808
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- 17.0104981546665 split increased to 2 itime 808059
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- 16.1983279891554 split increased to 2 itime 812511
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- 11.9845752117410 split increased to 2 itime 812538
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- 16.2033036014972 split increased to 2 itime 812539
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- 13.3170942538107 split increased to 2 itime 812540
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- acceleration/energy drift too large 9.09532383885328
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- 12.2839595062642 split increased to 2 itime 812543
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- 12.7211088670147 split increased to 2 itime 812604
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- 30.6525410747142 split increased to 2 itime 812608
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- 12.5768927669923 split increased to 2 itime 812610
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- 10.7906718109920 split increased to 2 itime 812671
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- 10.8497842102584 split increased to 2 itime 812672
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- 10.3146737372451 split increased to 2 itime 812673
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- 13.2075296814665 split increased to 2 itime 812677
- itsplit 1
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- 11.2624654939905 split increased to 2 itime 812687
- itsplit 1
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- 11.9234250122996 split increased to 2 itime 813821
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- 16.3187558107524 split increased to 2 itime 814908
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- 10.7361665575066 split increased to 2 itime 815054
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- 11.9369025884533 split increased to 2 itime 815131
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- 10.3562324355808 split increased to 2 itime 815133
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- 13.2539124852317 split increased to 2 itime 815137
- itsplit 1
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- 25.8624476209148 split increased to 2 itime 815140
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- 14.0528266494940 split increased to 2 itime 815143
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- 14.8054011496486 split increased to 2 itime 815144
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- 20.7399663926812 split increased to 2 itime 815145
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- 17.5414983032270 split increased to 2 itime 815148
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- 11.4022338553319 split increased to 2 itime 815157
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- 12.2490248953596 split increased to 2 itime 815165
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- 13.5888371274031 split increased to 2 itime 815166
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- itsplit 1
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- 16.6694381049531 split increased to 2 itime 885196
- itsplit 1
- acceleration/energy drift too large 3.53512452901201
- 10.9077368686268 split increased to 2 itime 885197
- itsplit 1
- acceleration/energy drift too large 3.59163475371097
- 10.7414490848442 split increased to 2 itime 885844
- itsplit 1
- acceleration/energy drift too large 6.21656116299036
- 20.5906411499767 split increased to 2 itime 885919
- itsplit 1
- acceleration/energy drift too large 5.31966423852916
- 15.4834819562055 split increased to 2 itime 886902
- itsplit 1
- acceleration/energy drift too large 6.92817499917769
- 10.6425015729690 split increased to 2 itime 887332
- itsplit 1
- acceleration/energy drift too large 9.59784482132046
- 25.0759581404714 split increased to 2 itime 887514
- itsplit 1
- acceleration/energy drift too large 5.92848984927603
- 38.3959018713859 split increased to 2 itime 887707
- itsplit 1
- acceleration/energy drift too large 2.06845978277478
- 10.5430082853768 split increased to 2 itime 889138
- itsplit 1
- acceleration/energy drift too large 2.83414016243626
- 11.8018460266457 split increased to 2 itime 889222
- itsplit 1
- acceleration/energy drift too large 2.55870891892554
- 14.8910340409304 split increased to 2 itime 889240
- itsplit 1
- acceleration/energy drift too large 3.00060767355376
- 10.6606536066186 split increased to 2 itime 889284
- itsplit 1
- acceleration/energy drift too large 4.67906141506718
- 15.0429765367215 split increased to 2 itime 891086
- itsplit 1
- acceleration/energy drift too large 3.09771740328792
- 18.1413160621814 split increased to 2 itime 891387
- itsplit 1
- acceleration/energy drift too large 2.89969614810145
- 12.5521838483630 split increased to 2 itime 893393
- itsplit 1
- acceleration/energy drift too large 7.38575339068290
- 27.2347153498468 split increased to 2 itime 893480
- itsplit 1
- acceleration/energy drift too large 3.71924361918418
- 10.5875732624885 split increased to 2 itime 894036
- itsplit 1
- acceleration/energy drift too large 2.50031708798051
- 10.0317738019304 split increased to 2 itime 894775
- itsplit 1
- acceleration/energy drift too large 2.41860265002419
- 10.0778580103964 split increased to 2 itime 895254
- itsplit 1
- acceleration/energy drift too large 6.12301061561256
- 11.6802293505378 split increased to 2 itime 896376
- itsplit 1
- acceleration/energy drift too large 6.13173639117314
- 40.6100154709416 split increased to 2 itime 896752
- itsplit 1
- acceleration/energy drift too large 6.66283243133982
- 15.9062543336785 split increased to 2 itime 896788
- itsplit 1
- acceleration/energy drift too large 7.65531306146650
- 38.5476251636030 split increased to 2 itime 897804
- itsplit 1
- acceleration/energy drift too large 5.04548513627763
- 12.2394916455316 split increased to 2 itime 897984
- itsplit 1
- acceleration/energy drift too large 3.60563855331779
- 14.0372787991910 split increased to 2 itime 898141
- itsplit 1
- acceleration/energy drift too large 2.99385443794211
- 10.5579887350577 split increased to 2 itime 898191
- itsplit 1
- acceleration/energy drift too large 3.12642648554429
- 10.6196226037166 split increased to 2 itime 898200
- itsplit 1
- acceleration/energy drift too large 2.90557241593064
- 10.0920384231076 split increased to 2 itime 898243
- itsplit 1
- acceleration/energy drift too large 2.15996185085474
- 10.1274803261365 split increased to 2 itime 898248
- itsplit 1
- acceleration/energy drift too large 2.62612152906742
- 10.9386562989034 split increased to 2 itime 898250
- itsplit 1
- acceleration/energy drift too large 2.29864435350013
- 10.0601373091055 split increased to 2 itime 898259
- itsplit 1
- acceleration/energy drift too large 3.52782753785405
- 10.9966882982924 split increased to 2 itime 898277
- itsplit 1
- acceleration/energy drift too large 4.79656554452478
- 12.4855347661078 split increased to 2 itime 898280
- itsplit 1
- acceleration/energy drift too large 2.31520404726971
- 10.4127904236326 split increased to 2 itime 898282
- itsplit 1
- acceleration/energy drift too large 3.74575973075621
- 13.3998072178123 split increased to 2 itime 898291
- itsplit 1
- acceleration/energy drift too large 3.61316904809170
- 15.0649600715318 split increased to 2 itime 898836
- itsplit 1
- acceleration/energy drift too large 4.50436928160336
- 10.7719585156443 split increased to 2 itime 899315
- itsplit 1
- acceleration/energy drift too large 17.8859032616243
- 106.266942735515 split increased to 2 itime 899371
- itsplit 1
- acceleration/energy drift too large 4.93612276327650
- 12.6342149895357 split increased to 2 itime 899673
- itsplit 1
- acceleration/energy drift too large 10.7881199039967
- 26.0999504533117 split increased to 2 itime 899748
- itsplit 1
- acceleration/energy drift too large 6.60397918733171
- 10.4484620365785 split increased to 2 itime 899967
+ acceleration/energy drift too large 3.81521778771810
+ 22.9153789837453 split increased to 2 itime 897065
itsplit 1
REMD synchro at 900000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 418.390625000000 0.000000000000000E+000
- REMD writing rst time= 7.812500000000000E-003
+ REMD gather times= 356.390625000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 0.000000000000000E+000
NREP 16
ACC 1 250.00000 0.22222 9
-ACC 2 260.00000 0.44444 9
-ACC 3 270.00000 0.77778 9
-ACC 4 280.00000 0.66667 9
+ACC 2 260.00000 0.77778 9
+ACC 3 270.00000 0.44444 9
+ACC 4 280.00000 0.33333 9
ACC 5 290.00000 0.55556 9
-ACC 6 300.00000 0.66667 9
+ACC 6 300.00000 0.88889 9
ACC 7 310.00000 0.55556 9
-ACC 8 320.00000 0.55556 9
-ACC 9 330.00000 0.77778 9
-ACC 10 340.00000 0.66667 9
-ACC 11 350.00000 0.88889 9
-ACC 12 360.00000 1.00000 9
-ACC 13 370.00000 0.77778 9
-ACC 14 380.00000 0.88889 9
-ACC 15 390.00000 0.88889 9
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 7.19363526093023
- 26.4376444688116 split increased to 2 itime 900044
- itsplit 1
- acceleration/energy drift too large 6.92581658774866
- 21.9658167318826 split increased to 2 itime 900346
- itsplit 1
- acceleration/energy drift too large 2.97211997086592
- 11.9360471099954 split increased to 2 itime 901378
- itsplit 1
- acceleration/energy drift too large 6.24403093852662
- 14.1018812225351 split increased to 2 itime 902498
- itsplit 1
- acceleration/energy drift too large 2.61072058071699
- 12.1470178462207 split increased to 2 itime 903394
- itsplit 1
- acceleration/energy drift too large 4.33752065538737
- 10.4626602159398 split increased to 2 itime 903681
- itsplit 1
- acceleration/energy drift too large 2.63015490742958
- 11.3920505406353 split increased to 2 itime 903684
- itsplit 1
- acceleration/energy drift too large 7.67250342656507
- 25.1133574631307 split increased to 2 itime 903804
- itsplit 1
- acceleration/energy drift too large 4.22668077955831
- 13.2232289978048 split increased to 2 itime 903809
- itsplit 1
- acceleration/energy drift too large 2.32963591048908
- 10.1833664121449 split increased to 2 itime 905247
- itsplit 1
- acceleration/energy drift too large 7.03248797563217
- 16.1739426686094 split increased to 2 itime 906879
- itsplit 1
- acceleration/energy drift too large 4.55985910815626
- 10.4380955833394 split increased to 2 itime 907514
- itsplit 1
- acceleration/energy drift too large 6.36555807236685
- 34.9090426477884 split increased to 2 itime 907517
- itsplit 1
- acceleration/energy drift too large 5.41031934237241
- 32.8866328107412 split increased to 2 itime 907596
- itsplit 1
- acceleration/energy drift too large 11.6903973285339
- 59.7893544595390 split increased to 2 itime 907657
- itsplit 1
- acceleration/energy drift too large 4.37129194833860
- 23.1302354327832 split increased to 2 itime 907695
- itsplit 1
- acceleration/energy drift too large 4.36859325201302
- 12.6303119712371 split increased to 2 itime 907802
- itsplit 1
- acceleration/energy drift too large 4.59262654842513
- 15.5371800467682 split increased to 2 itime 909753
- itsplit 1
- acceleration/energy drift too large 5.43011179395092
- 14.7040863259214 split increased to 2 itime 910310
- itsplit 1
- acceleration/energy drift too large 4.42627562482947
- 29.3712599684341 split increased to 2 itime 910776
- itsplit 1
- acceleration/energy drift too large 3.07904421686499
- 21.5064581761256 split increased to 2 itime 911508
- itsplit 1
- acceleration/energy drift too large 2.45282789389472
- 10.8097273101652 split increased to 2 itime 911537
- itsplit 1
- acceleration/energy drift too large 1.82745687227273
- 10.4986123247086 split increased to 2 itime 911545
- itsplit 1
- acceleration/energy drift too large 2.58935149075084
- 10.5140245490475 split increased to 2 itime 911796
- itsplit 1
- acceleration/energy drift too large 3.60018630959506
- 13.1986129409376 split increased to 2 itime 913461
- itsplit 1
- acceleration/energy drift too large 4.03977663898377
- 12.8229104374460 split increased to 2 itime 913880
- itsplit 1
- acceleration/energy drift too large 3.00363408568415
- 10.0495309005863 split increased to 2 itime 915275
- itsplit 1
- acceleration/energy drift too large 13.1566936484644
- 61.9485232683799 split increased to 2 itime 915285
- itsplit 1
- acceleration/energy drift too large 9.56751163619143
- 41.7438456653892 split increased to 2 itime 915430
- itsplit 1
- acceleration/energy drift too large 2.45306682179620
- 11.4492086576488 split increased to 2 itime 915498
- itsplit 1
- acceleration/energy drift too large 2.83727872126258
- 14.0482140947185 split increased to 2 itime 915607
- itsplit 1
- acceleration/energy drift too large 2.06884141375289
- 10.7533911661877 split increased to 2 itime 915608
- itsplit 1
- acceleration/energy drift too large 3.95079701548853
- 12.1537483298018 split increased to 2 itime 915716
- itsplit 1
- acceleration/energy drift too large 1.76063093190684
- 10.0121717544294 split increased to 2 itime 915717
- itsplit 1
- acceleration/energy drift too large 2.35817906808635
- 10.3795404305913 split increased to 2 itime 916699
- itsplit 1
- acceleration/energy drift too large 3.18090985794674
- 10.1186778852343 split increased to 2 itime 916716
- itsplit 1
- acceleration/energy drift too large 3.52646219648039
- 11.0083147315511 split increased to 2 itime 916736
- itsplit 1
- acceleration/energy drift too large 5.41401834887136
- 16.3250059968395 split increased to 2 itime 917065
- itsplit 1
- acceleration/energy drift too large 6.24654337262521
- 15.9467177506748 split increased to 2 itime 917088
- itsplit 1
- acceleration/energy drift too large 3.42123613024447
- 10.8293378813490 split increased to 2 itime 920360
- itsplit 1
- acceleration/energy drift too large 4.52348937499026
- 17.4160819846422 split increased to 2 itime 920481
- itsplit 1
- acceleration/energy drift too large 5.58307849409111
- 12.8384864984895 split increased to 2 itime 920508
- itsplit 1
- acceleration/energy drift too large 3.76293060028863
- 10.4230197580210 split increased to 2 itime 920938
- itsplit 1
- acceleration/energy drift too large 5.72487089244271
- 10.1269518764896 split increased to 2 itime 921451
- itsplit 1
- acceleration/energy drift too large 3.05685742697572
- 11.2928420728845 split increased to 2 itime 923134
- itsplit 1
- acceleration/energy drift too large 10.6418438989357
- 54.9804193206298 split increased to 2 itime 923293
- itsplit 1
- acceleration/energy drift too large 2.97542255625461
- 11.9018077569453 split increased to 2 itime 923294
- itsplit 1
- acceleration/energy drift too large 2.95064314798234
- 10.5898567931776 split increased to 2 itime 923312
- itsplit 1
- acceleration/energy drift too large 3.33155659791832
- 11.1075821708860 split increased to 2 itime 923523
- itsplit 1
- acceleration/energy drift too large 3.98195701216055
- 24.2323088930330 split increased to 2 itime 926080
- itsplit 1
- acceleration/energy drift too large 3.42082283129700
- 17.4005162816140 split increased to 2 itime 926661
- itsplit 1
- acceleration/energy drift too large 4.82095207791204
- 10.0085769282235 split increased to 2 itime 929282
- itsplit 1
- acceleration/energy drift too large 6.62690459192029
- 22.7542037107264 split increased to 2 itime 929855
- itsplit 1
- acceleration/energy drift too large 9.66454130856915
- 52.3842380943336 split increased to 2 itime 930101
- itsplit 1
- acceleration/energy drift too large 6.58848101894597
- 31.1344918135040 split increased to 2 itime 930503
- itsplit 1
- acceleration/energy drift too large 2.10676197962160
- 13.6263419691175 split increased to 2 itime 930667
- itsplit 1
- acceleration/energy drift too large 3.08721849299433
- 11.3374208464538 split increased to 2 itime 930683
- itsplit 1
- acceleration/energy drift too large 3.30363134189609
- 12.3716584794392 split increased to 2 itime 930685
- itsplit 1
- acceleration/energy drift too large 2.14749820212985
- 12.4616872901649 split increased to 2 itime 930690
- itsplit 1
- acceleration/energy drift too large 4.11062001736540
- 13.2334539230016 split increased to 2 itime 930778
- itsplit 1
- acceleration/energy drift too large 3.99271156031664
- 10.4082990315217 split increased to 2 itime 930780
- itsplit 1
- acceleration/energy drift too large 3.14085917988531
- 13.4615132321333 split increased to 2 itime 930807
- itsplit 1
- acceleration/energy drift too large 2.19184874715178
- 10.6524649128168 split increased to 2 itime 930809
- itsplit 1
- acceleration/energy drift too large 2.60269138739621
- 10.2552486452875 split increased to 2 itime 930810
- itsplit 1
- acceleration/energy drift too large 2.04336848321291
- 10.3940347580703 split increased to 2 itime 930812
- itsplit 1
- acceleration/energy drift too large 3.52689536788265
- 14.6483036895294 split increased to 2 itime 930932
- itsplit 1
- acceleration/energy drift too large 5.70582832319517
- 39.1036944602793 split increased to 2 itime 930952
- itsplit 1
- acceleration/energy drift too large 8.92273950313895
- 43.0721842916357 split increased to 2 itime 931121
- itsplit 1
- acceleration/energy drift too large 2.18544868871736
- 10.2871492974681 split increased to 2 itime 931685
- itsplit 1
- acceleration/energy drift too large 4.10032675586481
- 12.8172823178174 split increased to 2 itime 932977
- itsplit 1
- acceleration/energy drift too large 5.08582074895004
- 12.8841224375240 split increased to 2 itime 933761
- itsplit 1
- acceleration/energy drift too large 5.06748878429286
- 16.6264935256466 split increased to 2 itime 935355
- itsplit 1
- acceleration/energy drift too large 5.04793245705423
- 12.5334527792044 split increased to 2 itime 937381
- itsplit 1
- acceleration/energy drift too large 4.13329546271268
- 10.1111058379699 split increased to 2 itime 937388
- itsplit 1
- acceleration/energy drift too large 4.25892809076758
- 23.4965933718114 split increased to 2 itime 937853
- itsplit 1
- acceleration/energy drift too large 2.01389642739375
- 11.1359609510126 split increased to 2 itime 938066
- itsplit 1
- acceleration/energy drift too large 11.9561132235887
- 68.4733647228573 split increased to 2 itime 939131
- itsplit 1
- acceleration/energy drift too large 6.62026118239343
- 49.5095904282916 split increased to 2 itime 939748
- itsplit 1
- acceleration/energy drift too large 6.50306648653270
- 29.9110279037852 split increased to 2 itime 939882
- itsplit 1
- acceleration/energy drift too large 5.81292006783853
- 11.5002791063382 split increased to 2 itime 940461
- itsplit 1
- acceleration/energy drift too large 3.84105923526881
- 13.6099161563810 split increased to 2 itime 940586
- itsplit 1
- acceleration/energy drift too large 4.36018446324520
- 10.4355491014793 split increased to 2 itime 940717
- itsplit 1
- acceleration/energy drift too large 4.73540688413573
- 11.8752740256946 split increased to 2 itime 941585
- itsplit 1
- acceleration/energy drift too large 6.27777010711216
- 14.9739269139566 split increased to 2 itime 942177
- itsplit 1
- acceleration/energy drift too large 4.77187467086803
- 28.0518863127247 split increased to 2 itime 943975
- itsplit 1
- acceleration/energy drift too large 4.06206076320509
- 10.6296578611728 split increased to 2 itime 945706
- itsplit 1
- acceleration/energy drift too large 5.42852126925631
- 30.8875539452810 split increased to 2 itime 945819
- itsplit 1
- acceleration/energy drift too large 4.12748474808147
- 14.7122446468742 split increased to 2 itime 948175
- itsplit 1
- acceleration/energy drift too large 3.75767002463968
- 21.1672333210082 split increased to 2 itime 948474
- itsplit 1
- acceleration/energy drift too large 3.55891306554249
- 10.0506206298953 split increased to 2 itime 948554
- itsplit 1
- acceleration/energy drift too large 3.84631196203221
- 21.7247458983374 split increased to 2 itime 948714
- itsplit 1
- acceleration/energy drift too large 5.64839053021019
- 15.0860189150167 split increased to 2 itime 950010
- itsplit 1
- acceleration/energy drift too large 5.52824763386011
- 10.8087432135634 split increased to 2 itime 950033
- itsplit 1
- acceleration/energy drift too large 5.57046201749486
- 35.8258031520426 split increased to 2 itime 950152
- itsplit 1
- acceleration/energy drift too large 4.68693682257291
- 13.4451126304655 split increased to 2 itime 950423
- itsplit 1
- acceleration/energy drift too large 3.42968959873802
- 10.3037992797257 split increased to 2 itime 950479
- itsplit 1
- acceleration/energy drift too large 4.00996242350251
- 10.8596341414400 split increased to 2 itime 950534
- itsplit 1
- acceleration/energy drift too large 4.64214096535013
- 11.5000290740990 split increased to 2 itime 950567
- itsplit 1
- acceleration/energy drift too large 5.60749690034253
- 30.1402888645638 split increased to 2 itime 950943
- itsplit 1
- acceleration/energy drift too large 6.10440988702038
- 14.0908256877974 split increased to 2 itime 952353
- itsplit 1
- acceleration/energy drift too large 3.02427022882836
- 11.4950612037903 split increased to 2 itime 954716
- itsplit 1
- acceleration/energy drift too large 8.11181273944229
- 25.8453536523501 split increased to 2 itime 954792
+ REMD exchange time= 0.000000000000000E+000
+ acceleration/energy drift too large 6.57808466903543
+ 14.2966236603601 split increased to 2 itime 900512
itsplit 1
- acceleration/energy drift too large 5.78554790892165
- 13.3256810833222 split increased to 2 itime 957878
+ acceleration/energy drift too large 2.59229150258786
+ 10.4080798753601 split increased to 2 itime 901350
itsplit 1
- acceleration/energy drift too large 4.28220245111358
- 15.3967273379289 split increased to 2 itime 958129
+ acceleration/energy drift too large 7.69125874110519
+ 23.7007796428610 split increased to 2 itime 902572
itsplit 1
- acceleration/energy drift too large 2.59652760530668
- 10.5648657320623 split increased to 2 itime 958132
+ acceleration/energy drift too large 3.21110129327291
+ 10.0423126070215 split increased to 2 itime 903784
itsplit 1
- acceleration/energy drift too large 1.61451807329374
- 10.1009312963666 split increased to 2 itime 958156
+ acceleration/energy drift too large 12.3085257846634
+ 55.2456446465172 split increased to 2 itime 905864
itsplit 1
- acceleration/energy drift too large 4.38502621693771
- 14.5845352689647 split increased to 2 itime 958186
+ acceleration/energy drift too large 4.52591552115366
+ 14.1527736760797 split increased to 2 itime 907361
itsplit 1
- acceleration/energy drift too large 2.96708412321547
- 10.6613672710611 split increased to 2 itime 958187
+ acceleration/energy drift too large 1.99420534523600
+ 11.8715454235411 split increased to 2 itime 908938
itsplit 1
- acceleration/energy drift too large 3.06719611040155
- 11.7033679886552 split increased to 2 itime 958227
+ acceleration/energy drift too large 2.84991716936482
+ 11.5679143197226 split increased to 2 itime 909045
itsplit 1
- acceleration/energy drift too large 8.93361772328442
- 62.1165479749755 split increased to 2 itime 958771
+ acceleration/energy drift too large 2.53446373565771
+ 11.3900046128801 split increased to 2 itime 909053
itsplit 1
- acceleration/energy drift too large 5.56652456694105
- 11.3826117183827 split increased to 2 itime 959119
+ acceleration/energy drift too large 5.62223323930956
+ 17.2458777836118 split increased to 2 itime 910736
itsplit 1
- acceleration/energy drift too large 2.77236347499016
- 10.4981910074322 split increased to 2 itime 960636
+ acceleration/energy drift too large 2.50303839568308
+ 10.0124697161464 split increased to 2 itime 913252
itsplit 1
- acceleration/energy drift too large 4.20826461807149
- 14.3474455133112 split increased to 2 itime 960906
+ acceleration/energy drift too large 9.53925841058432
+ 23.8317261527347 split increased to 2 itime 914590
itsplit 1
- acceleration/energy drift too large 7.79055187860155
- 23.0283638090609 split increased to 2 itime 961278
+ acceleration/energy drift too large 7.33635983353724
+ 19.8127222755395 split increased to 2 itime 915005
itsplit 1
- acceleration/energy drift too large 2.08464270723004
- 16.0700358356114 split increased to 2 itime 961279
+ acceleration/energy drift too large 3.48151431215448
+ 11.2218821811313 split increased to 2 itime 915007
itsplit 1
- acceleration/energy drift too large 4.74153576939305
- 11.1674513052506 split increased to 2 itime 961769
+ acceleration/energy drift too large 4.10632542294466
+ 13.0497696370744 split increased to 2 itime 915022
itsplit 1
- acceleration/energy drift too large 4.14293351474291
- 10.2796929589830 split increased to 2 itime 961778
+ acceleration/energy drift too large 9.78569117524985
+ 51.4740864589150 split increased to 2 itime 915241
itsplit 1
- acceleration/energy drift too large 3.74774896649738
- 12.0458681041903 split increased to 2 itime 962089
+ acceleration/energy drift too large 6.82349686974094
+ 11.6662522868597 split increased to 2 itime 916490
itsplit 1
- acceleration/energy drift too large 8.48233251900257
- 43.2608504669463 split increased to 2 itime 962328
+ acceleration/energy drift too large 2.74022016143286
+ 10.1010455244959 split increased to 2 itime 917947
itsplit 1
- acceleration/energy drift too large 5.00786122772515
- 38.5047773715209 split increased to 2 itime 962814
+ acceleration/energy drift too large 2.94194580192428
+ 10.5895677935487 split increased to 2 itime 917971
itsplit 1
- acceleration/energy drift too large 2.39871872120630
- 16.3473324869437 split increased to 2 itime 962982
+ acceleration/energy drift too large 2.82987203862736
+ 11.7440458452996 split increased to 2 itime 918684
itsplit 1
- acceleration/energy drift too large 3.83535497728311
- 10.9887896007083 split increased to 2 itime 962998
+ acceleration/energy drift too large 3.00173322785880
+ 25.0402825339256 split increased to 2 itime 919194
itsplit 1
- acceleration/energy drift too large 2.05005736932341
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itsplit 1
- acceleration/energy drift too large 3.41430820574516
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itsplit 1
- acceleration/energy drift too large 3.30147796988413
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itsplit 1
- acceleration/energy drift too large 2.22865457728983
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itsplit 1
- acceleration/energy drift too large 2.55782026615760
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itsplit 1
- acceleration/energy drift too large 4.84338277650784
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itsplit 1
- acceleration/energy drift too large 4.64082845912964
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itsplit 1
- acceleration/energy drift too large 5.42513724717896
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itsplit 1
- acceleration/energy drift too large 3.20713331812597
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itsplit 1
- acceleration/energy drift too large 10.2488922477047
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itsplit 1
- acceleration/energy drift too large 4.55227006439797
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itsplit 1
- acceleration/energy drift too large 5.79576004251907
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itsplit 1
- acceleration/energy drift too large 5.46864502256276
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itsplit 1
- acceleration/energy drift too large 3.82748289729853
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itsplit 1
- acceleration/energy drift too large 2.24583373569801
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itsplit 1
- acceleration/energy drift too large 8.20787125800904
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itsplit 1
- acceleration/energy drift too large 3.97383169777160
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itsplit 1
- acceleration/energy drift too large 5.27863868887135
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itsplit 1
- acceleration/energy drift too large 2.52486758311415
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itsplit 1
- acceleration/energy drift too large 3.94825550639467
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itsplit 1
- acceleration/energy drift too large 4.42558661268700
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itsplit 1
- acceleration/energy drift too large 3.29614207087839
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itsplit 1
- acceleration/energy drift too large 3.47890541763180
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itsplit 1
- acceleration/energy drift too large 6.55259268269142
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itsplit 1
- acceleration/energy drift too large 2.94019769238794
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itsplit 1
- acceleration/energy drift too large 5.90574632060437
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itsplit 1
- acceleration/energy drift too large 2.73058838083181
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itsplit 1
- acceleration/energy drift too large 3.58505527635360
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itsplit 1
- acceleration/energy drift too large 7.03288997449475
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itsplit 1
- acceleration/energy drift too large 5.21164852666080
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itsplit 1
- acceleration/energy drift too large 5.36080237136695
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itsplit 1
- acceleration/energy drift too large 4.57893384842436
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itsplit 1
- acceleration/energy drift too large 2.06884256824741
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+ acceleration/energy drift too large 3.55972287078091
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itsplit 1
- acceleration/energy drift too large 7.62805236934620
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+ acceleration/energy drift too large 2.76073460283047
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itsplit 1
- acceleration/energy drift too large 5.55554314126233
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itsplit 1
- acceleration/energy drift too large 3.71941446628352
- 10.6607602772641 split increased to 2 itime 983479
+ acceleration/energy drift too large 5.23977091259578
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itsplit 1
- acceleration/energy drift too large 4.68334213163411
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+ acceleration/energy drift too large 3.25498406440961
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itsplit 1
- acceleration/energy drift too large 4.49771787303815
- 11.8986687315346 split increased to 2 itime 983870
+ acceleration/energy drift too large 2.94304604625915
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itsplit 1
- acceleration/energy drift too large 3.53416897872721
- 12.0662969455353 split increased to 2 itime 984005
+ acceleration/energy drift too large 2.05798405881767
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itsplit 1
- acceleration/energy drift too large 7.50040157925854
- 33.9637754075882 split increased to 2 itime 984064
+ acceleration/energy drift too large 3.44964489780285
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itsplit 1
- acceleration/energy drift too large 6.76739633076494
- 11.5881989924572 split increased to 2 itime 984474
+ acceleration/energy drift too large 6.78885229817901
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itsplit 1
- acceleration/energy drift too large 5.83730629901757
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+ acceleration/energy drift too large 5.82678507210135
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itsplit 1
- acceleration/energy drift too large 2.85894760292279
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+ acceleration/energy drift too large 5.18940440922303
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itsplit 1
- acceleration/energy drift too large 4.16053886804174
- 10.8952614714032 split increased to 2 itime 986206
+ acceleration/energy drift too large 5.35428437652620
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itsplit 1
- acceleration/energy drift too large 2.62650039395365
- 10.4790943792781 split increased to 2 itime 986258
+ acceleration/energy drift too large 4.55162592862716
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itsplit 1
- acceleration/energy drift too large 3.41783660885226
- 13.9379720024929 split increased to 2 itime 986573
+ acceleration/energy drift too large 6.38147579821281
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itsplit 1
- acceleration/energy drift too large 5.00402058314798
- 14.5425624069117 split increased to 2 itime 986896
+ acceleration/energy drift too large 4.26729194647760
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itsplit 1
- acceleration/energy drift too large 2.54682746581876
- 11.4881415595367 split increased to 2 itime 986897
+ acceleration/energy drift too large 4.76878350078769
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itsplit 1
- acceleration/energy drift too large 2.56483516846129
- 11.9751650710013 split increased to 2 itime 987003
+ acceleration/energy drift too large 8.77958285185338
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itsplit 1
- acceleration/energy drift too large 3.24258291378299
- 11.0498770434785 split increased to 2 itime 987007
+ acceleration/energy drift too large 3.56125187587214
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itsplit 1
- acceleration/energy drift too large 4.44801738824107
- 10.9817200839115 split increased to 2 itime 987933
+ acceleration/energy drift too large 3.81612277478126
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itsplit 1
- acceleration/energy drift too large 6.47953793889234
- 16.8762767054426 split increased to 2 itime 987939
+ acceleration/energy drift too large 3.33931536850662
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itsplit 1
- acceleration/energy drift too large 2.74131846282361
- 11.9739061953253 split increased to 2 itime 987940
+ acceleration/energy drift too large 5.39546570956672
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itsplit 1
- acceleration/energy drift too large 5.21884756257283
- 16.0146323195793 split increased to 2 itime 988156
+ acceleration/energy drift too large 5.01868309144268
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itsplit 1
- acceleration/energy drift too large 6.98303064757951
- 52.5269086138375 split increased to 2 itime 988653
+ acceleration/energy drift too large 2.88496402964613
+ 10.3921477842572 split increased to 2 itime 954789
itsplit 1
- acceleration/energy drift too large 7.44371664691160
- 17.1999209717626 split increased to 2 itime 988717
+ acceleration/energy drift too large 2.54908704555533
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itsplit 1
- acceleration/energy drift too large 3.41518530570218
- 11.7230712241242 split increased to 2 itime 989243
+ acceleration/energy drift too large 2.98289557057861
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itsplit 1
- acceleration/energy drift too large 4.86997826218766
- 23.7042923467332 split increased to 2 itime 989645
+ acceleration/energy drift too large 3.31385324987540
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itsplit 1
- acceleration/energy drift too large 6.56861396867082
- 16.3197831423529 split increased to 2 itime 989687
+ acceleration/energy drift too large 5.82454924506218
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itsplit 1
- acceleration/energy drift too large 3.47814528665630
- 10.1964822142602 split increased to 2 itime 989802
+ acceleration/energy drift too large 7.90187303128310
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itsplit 1
- acceleration/energy drift too large 5.83205218997564
- 31.6207589582694 split increased to 2 itime 990836
+ acceleration/energy drift too large 4.84078628479393
+ 10.8721029701479 split increased to 2 itime 959950
itsplit 1
- acceleration/energy drift too large 10.1525046370308
- 40.5206722200691 split increased to 2 itime 991054
+ acceleration/energy drift too large 5.38140146381624
+ 12.0821188629450 split increased to 2 itime 960750
itsplit 1
- acceleration/energy drift too large 4.70385478390376
- 21.4641406840745 split increased to 2 itime 991080
+ acceleration/energy drift too large 2.45200560225983
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itsplit 1
- acceleration/energy drift too large 7.05811533646673
- 45.6207028602283 split increased to 2 itime 991097
+ acceleration/energy drift too large 4.80829251553583
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itsplit 1
- acceleration/energy drift too large 5.88995059991438
- 10.4593199435289 split increased to 2 itime 991730
+ acceleration/energy drift too large 1.92684696104599
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itsplit 1
- acceleration/energy drift too large 4.79904589349359
- 15.2433834267384 split increased to 2 itime 991851
+ acceleration/energy drift too large 3.38051856673097
+ 13.5164443579456 split increased to 2 itime 966501
itsplit 1
- acceleration/energy drift too large 6.03164547020882
- 25.6011054229065 split increased to 2 itime 992147
+ acceleration/energy drift too large 5.02392232851096
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itsplit 1
- acceleration/energy drift too large 4.27944235575244
- 13.4118808691173 split increased to 2 itime 992624
+ acceleration/energy drift too large 10.8939133147482
+ 37.9792756831615 split increased to 2 itime 969921
itsplit 1
- acceleration/energy drift too large 3.79611835588981
- 10.8014395272193 split increased to 2 itime 993601
+ acceleration/energy drift too large 6.25537857545006
+ 15.7930940357674 split increased to 2 itime 973435
itsplit 1
- acceleration/energy drift too large 9.81593007379842
- 43.8211427883116 split increased to 2 itime 993687
+ acceleration/energy drift too large 4.95303977839136
+ 10.3895854620251 split increased to 2 itime 975524
itsplit 1
- acceleration/energy drift too large 5.12745320161781
- 12.7998418418219 split increased to 2 itime 993764
+ acceleration/energy drift too large 4.43505836691903
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itsplit 1
- acceleration/energy drift too large 4.98228140049519
- 28.3171900114535 split increased to 2 itime 994336
+ acceleration/energy drift too large 2.22395266345729
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itsplit 1
- acceleration/energy drift too large 8.93613981531363
- 42.0336053180690 split increased to 2 itime 994388
+ acceleration/energy drift too large 7.38517455742916
+ 13.7375899126670 split increased to 2 itime 979097
itsplit 1
- acceleration/energy drift too large 3.79687233558780
- 10.2014508288714 split increased to 2 itime 994398
+ acceleration/energy drift too large 5.42766800882002
+ 11.3746794397026 split increased to 2 itime 979138
itsplit 1
- acceleration/energy drift too large 4.63745639936406
- 12.3600092318219 split increased to 2 itime 994792
+ acceleration/energy drift too large 4.69477900799110
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itsplit 1
- acceleration/energy drift too large 4.34735930023412
- 11.2522827957382 split increased to 2 itime 995328
+ acceleration/energy drift too large 4.56709827410279
+ 12.2866018672929 split increased to 2 itime 981082
itsplit 1
- acceleration/energy drift too large 5.55778162158401
- 36.1723208783007 split increased to 2 itime 995393
+ acceleration/energy drift too large 4.22843662737844
+ 15.9986236576054 split increased to 2 itime 983446
itsplit 1
- acceleration/energy drift too large 2.34929096586190
- 14.0106400485427 split increased to 2 itime 996349
+ acceleration/energy drift too large 7.28503729750069
+ 28.0900437565608 split increased to 2 itime 988502
itsplit 1
- acceleration/energy drift too large 3.40259633126558
- 14.5501924551923 split increased to 2 itime 996414
+ acceleration/energy drift too large 3.09892815129042
+ 13.1677379200501 split increased to 2 itime 989161
itsplit 1
- acceleration/energy drift too large 4.72936963932838
- 26.0105105100737 split increased to 2 itime 996694
+ acceleration/energy drift too large 5.02723350945619
+ 14.2627980639176 split increased to 2 itime 990132
itsplit 1
- acceleration/energy drift too large 2.21955470692259
- 12.3022724913458 split increased to 2 itime 997034
+ acceleration/energy drift too large 3.62203937128740
+ 20.0320284014358 split increased to 2 itime 990751
itsplit 1
- acceleration/energy drift too large 3.39880195626370
- 12.1395913429617 split increased to 2 itime 997485
+ acceleration/energy drift too large 4.42295413564357
+ 10.6714381752827 split increased to 2 itime 992731
itsplit 1
- acceleration/energy drift too large 3.81575568091670
- 17.9836623913959 split increased to 2 itime 997594
+ acceleration/energy drift too large 7.57497282303292
+ 17.6580167906195 split increased to 2 itime 993382
itsplit 1
- acceleration/energy drift too large 4.22657043037710
- 14.1146354103959 split increased to 2 itime 997810
+ acceleration/energy drift too large 3.78003912651920
+ 10.2318302682778 split increased to 2 itime 994149
itsplit 1
- acceleration/energy drift too large 3.82768911597785
- 10.5813534813134 split increased to 2 itime 997839
+ acceleration/energy drift too large 1.70558181148873
+ 11.2124394008163 split increased to 2 itime 996592
itsplit 1
- acceleration/energy drift too large 3.70661799958021
- 11.6939790119966 split increased to 2 itime 997848
+ acceleration/energy drift too large 1.98152789335267
+ 10.0315596865563 split increased to 2 itime 998563
itsplit 1
- acceleration/energy drift too large 6.19065081685500
- 20.2550466542341 split increased to 2 itime 998558
+ acceleration/energy drift too large 3.31628517915314
+ 23.0713856251341 split increased to 2 itime 999178
itsplit 1
- acceleration/energy drift too large 5.61815481700118
- 23.2173197973107 split increased to 2 itime 998728
+ acceleration/energy drift too large 7.41509555887398
+ 28.0813685506388 split increased to 2 itime 999369
itsplit 1
REMD synchro at 1000000
- ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+ 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: 3.90625E-03
- Energy & gradient evaluation: 3.80934E+02
+ MD calculations setup: 1.56250E-02
+ Energy & gradient evaluation: 3.36891E+02
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 4.65398E+02
+ MD steps: 3.96145E+02
============================ End of MD calculation ===========================
CG processor 0 is finishing work.
- Total wall clock time 465.425781250000 sec
+ Total wall clock time 396.207031250000 sec
projects / unres.git / blobdiff