Charm++: scheduler running in netpoll mode.
Info: NAMD 2.6 for Linux-i686-Clustermatic4-TCP
Info: 
Info: Please visit http://www.ks.uiuc.edu/Research/namd/
Info: and send feedback or bug reports to namd@ks.uiuc.edu
Info: 
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info: 
Info: Based on Charm++/Converse 50900 for net-linux-clustermatic-tcp-iccstatic
Info: Built Wed Aug 30 12:58:29 CDT 2006 by jim on portia.ks.uiuc.edu
Info: 1 NAMD  2.6  Linux-i686-Clustermatic4-TCP  48    portia.ks.uiuc.edu  jcomer
Info: Running on 48 processors.
Info: 7392 kB of memory in use.
Info: Memory usage based on mallinfo
Info: Configuration file is eq1.namd
TCL: Suspending until startup complete.
Info: EXTENDED SYSTEM FILE   eq0.xsc
Info: SIMULATION PARAMETERS:
Info: TIMESTEP               1
Info: NUMBER OF STEPS        500
Info: STEPS PER CYCLE        20
Info: PERIODIC CELL BASIS 1  34.1775 19.7324 0
Info: PERIODIC CELL BASIS 2  0 39.4648 0
Info: PERIODIC CELL BASIS 3  0 0 75
Info: PERIODIC CELL CENTER   0 0 0
Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT.
Info: WRAPPING TO IMAGE NEAREST TO PERIODIC CELL CENTER.
Info: LOAD BALANCE STRATEGY  Other
Info: LDB PERIOD             4000 steps
Info: FIRST LDB TIMESTEP     100
Info: LDB BACKGROUND SCALING 1
Info: HOM BACKGROUND SCALING 1
Info: PME BACKGROUND SCALING 1
Info: MAX SELF PARTITIONS    50
Info: MAX PAIR PARTITIONS    20
Info: SELF PARTITION ATOMS   125
Info: PAIR PARTITION ATOMS   200
Info: PAIR2 PARTITION ATOMS  400
Info: MIN ATOMS PER PATCH    100
Info: INITIAL TEMPERATURE    0
Info: CENTER OF MASS MOVING INITIALLY? NO
Info: DIELECTRIC             1
Info: EXCLUDE                SCALED ONE-FOUR
Info: 1-4 SCALE FACTOR       1
Info: DCD FILENAME           eq1.dcd
Info: DCD FREQUENCY          100
Info: DCD FIRST STEP         100
Info: DCD FILE WILL CONTAIN UNIT CELL DATA
Info: XST FILENAME           eq1.xst
Info: XST FREQUENCY          100
Info: NO VELOCITY DCD OUTPUT
Info: OUTPUT FILENAME        eq1
Info: BINARY OUTPUT FILES WILL BE USED
Info: RESTART FILENAME       eq1.restart
Info: RESTART FREQUENCY      100
Info: BINARY RESTART FILES WILL BE USED
Info: SWITCHING ACTIVE
Info: SWITCHING ON           10
Info: SWITCHING OFF          12
Info: PAIRLIST DISTANCE      14
Info: PAIRLIST SHRINK RATE   0.01
Info: PAIRLIST GROW RATE     0.01
Info: PAIRLIST TRIGGER       0.3
Info: PAIRLISTS PER CYCLE    2
Info: PAIRLISTS ENABLED
Info: MARGIN                 3
Info: HYDROGEN GROUP CUTOFF  2.5
Info: PATCH DIMENSION        19.5
Info: ENERGY OUTPUT STEPS    100
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
Info: TIMING OUTPUT STEPS    100
Info: HARMONIC CONSTRAINTS ACTIVE
Info: HARMONIC CONS EXP      2
Info: VELOCITY REASSIGNMENT FREQ  1
Info: VELOCITY REASSIGNMENT TEMP  0
Info: VELOCITY REASSIGNMENT INCR  1
Info: VELOCITY REASSIGNMENT HOLD  295
Info: PARTICLE MESH EWALD (PME) ACTIVE
Info: PME TOLERANCE               1e-06
Info: PME EWALD COEFFICIENT       0.257952
Info: PME INTERPOLATION ORDER     4
Info: PME GRID DIMENSIONS         48 48 64
Info: PME MAXIMUM GRID SPACING    1.5
Info: Attempting to read FFTW data from FFTW_NAMD_2.6_Linux-i686-Clustermatic4-TCP.txt
Info: Optimizing 6 FFT steps.  1... 2... 3... 4... 5... 6...   Done.
Info: Writing FFTW data to FFTW_NAMD_2.6_Linux-i686-Clustermatic4-TCP.txt
Info: FULL ELECTROSTATIC EVALUATION FREQUENCY      4
Info: USING VERLET I (r-RESPA) MTS SCHEME.
Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS
Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS
Info: NONBONDED FORCES EVALUATED EVERY 2 STEPS
Info: RANDOM NUMBER SEED     1163411178
Info: USE HYDROGEN BONDS?    NO
Info: COORDINATE PDB         pore_all.pdb
Info: STRUCTURE FILE         pore_all.psf
Info: PARAMETER file: CHARMM format! 
Info: PARAMETERS             cornell.prm
Info: PARAMETERS             par_silicon_ions_NEW5.inp
Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
Info: BINARY COORDINATES     eq0.coor
Info: SUMMARY OF PARAMETERS:
Info: 96 BONDS
Info: 229 ANGLES
Info: 81 DIHEDRAL
Info: 31 IMPROPER
Info: 0 CROSSTERM
Info: 62 VDW
Info: 0 VDW_PAIRS
Warning: VDW TYPE NAME NS MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME NB MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME N2 MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME NC MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME NA MATCHES PARAMETER TYPE NAME N*
Info: ****************************
Info: STRUCTURE SUMMARY:
Info: 7832 ATOMS
Info: 6869 BONDS
Info: 8994 ANGLES
Info: 732 DIHEDRALS
Info: 45 IMPROPERS
Info: 0 CROSSTERMS
Info: 0 EXCLUSIONS
Info: 1771 CONSTRAINTS
Info: 23496 DEGREES OF FREEDOM
Info: 3963 HYDROGEN GROUPS
Info: TOTAL MASS = 77297.6 amu
Info: TOTAL CHARGE = -0.000154442 e
Info: *****************************
Info: Entering startup phase 0 with 7392 kB of memory in use.
Info: Entering startup phase 1 with 7392 kB of memory in use.
Info: Entering startup phase 2 with 7392 kB of memory in use.
Info: Entering startup phase 3 with 7392 kB of memory in use.
Info: PATCH GRID IS 1 (PERIODIC) BY 1 (PERIODIC) BY 3 (PERIODIC)
Info: REMOVING COM VELOCITY 0 0 0
Info: LARGEST PATCH (0) HAS 2968 ATOMS
Info: CREATING 966 COMPUTE OBJECTS
Info: Entering startup phase 4 with 7392 kB of memory in use.
Info: PME using 48 and 48 processors for FFT and reciprocal sum.
Info: PME GRID LOCATIONS: 0 1 2 3 4 5 6 7 8 9 ...
Info: PME TRANS LOCATIONS: 0 1 2 3 4 5 6 7 8 9 ...
Info: Optimizing 4 FFT steps.  1... 2... 3... 4...   Done.
Info: Entering startup phase 5 with 7392 kB of memory in use.
Info: Entering startup phase 6 with 7392 kB of memory in use.
Measuring processor speeds... Done.
Info: Entering startup phase 7 with 7392 kB of memory in use.
Info: CREATING 966 COMPUTE OBJECTS
Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625
Info: NONBONDED TABLE SIZE: 769 POINTS
Info: ABSOLUTE IMPRECISION IN FAST TABLE ENERGY: 4.3715e-16 AT 0.03125
Info: RELATIVE IMPRECISION IN FAST TABLE ENERGY: 1.00929e-16 AT 0.231756
Info: ABSOLUTE IMPRECISION IN FAST TABLE FORCE: 3.70577e-22 AT 11.9974
Info: RELATIVE IMPRECISION IN FAST TABLE FORCE: 2.80873e-16 AT 11.9138
Info: ABSOLUTE IMPRECISION IN SCOR TABLE ENERGY: 2.91168e-22 AT 11.9974
Info: RELATIVE IMPRECISION IN SCOR TABLE ENERGY: 6.16001e-17 AT 11.9974
Info: ABSOLUTE IMPRECISION IN SCOR TABLE FORCE: 1.98523e-22 AT 11.9974
Info: RELATIVE IMPRECISION IN SCOR TABLE FORCE: 8.0593e-16 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 1.97215e-31 AT 11.8295
Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 6.72641e-14 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWA TABLE FORCE: 8.32002e-32 AT 11.9974
Info: RELATIVE IMPRECISION IN VDWA TABLE FORCE: 1.83939e-15 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWB TABLE ENERGY: 8.80495e-26 AT 11.9974
Info: RELATIVE IMPRECISION IN VDWB TABLE ENERGY: 7.56853e-15 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWB TABLE FORCE: 5.16988e-26 AT 11.9138
Info: RELATIVE IMPRECISION IN VDWB TABLE FORCE: 7.96546e-16 AT 11.9138
Info: Entering startup phase 8 with 7392 kB of memory in use.
Info: Finished startup with 7392 kB of memory in use.
REASSIGNING VELOCITIES AT STEP 0 TO 0 KELVIN.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP         TOTAL2         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:       0       936.6128       423.8576       141.4225         1.9967        -237900.1459      3427.5027       666.1317         0.0000         0.0000        -232302.6219         0.0000   -232263.0121   -232263.0121         0.0000         -16236.1891    -16313.7947    101160.6151    -16236.1891    -16313.7947

OPENING EXTENDED SYSTEM TRAJECTORY FILE
REASSIGNING VELOCITIES AT STEP 1 TO 1 KELVIN.
REASSIGNING VELOCITIES AT STEP 2 TO 2 KELVIN.
REASSIGNING VELOCITIES AT STEP 3 TO 3 KELVIN.
REASSIGNING VELOCITIES AT STEP 4 TO 4 KELVIN.
REASSIGNING VELOCITIES AT STEP 5 TO 5 KELVIN.
REASSIGNING VELOCITIES AT STEP 6 TO 6 KELVIN.
REASSIGNING VELOCITIES AT STEP 7 TO 7 KELVIN.
REASSIGNING VELOCITIES AT STEP 8 TO 8 KELVIN.
REASSIGNING VELOCITIES AT STEP 9 TO 9 KELVIN.
REASSIGNING VELOCITIES AT STEP 10 TO 10 KELVIN.
REASSIGNING VELOCITIES AT STEP 11 TO 11 KELVIN.
REASSIGNING VELOCITIES AT STEP 12 TO 12 KELVIN.
REASSIGNING VELOCITIES AT STEP 13 TO 13 KELVIN.
REASSIGNING VELOCITIES AT STEP 14 TO 14 KELVIN.
REASSIGNING VELOCITIES AT STEP 15 TO 15 KELVIN.
REASSIGNING VELOCITIES AT STEP 16 TO 16 KELVIN.
REASSIGNING VELOCITIES AT STEP 17 TO 17 KELVIN.
REASSIGNING VELOCITIES AT STEP 18 TO 18 KELVIN.
REASSIGNING VELOCITIES AT STEP 19 TO 19 KELVIN.
REASSIGNING VELOCITIES AT STEP 20 TO 20 KELVIN.
REASSIGNING VELOCITIES AT STEP 21 TO 21 KELVIN.
REASSIGNING VELOCITIES AT STEP 22 TO 22 KELVIN.
REASSIGNING VELOCITIES AT STEP 23 TO 23 KELVIN.
REASSIGNING VELOCITIES AT STEP 24 TO 24 KELVIN.
REASSIGNING VELOCITIES AT STEP 25 TO 25 KELVIN.
REASSIGNING VELOCITIES AT STEP 26 TO 26 KELVIN.
REASSIGNING VELOCITIES AT STEP 27 TO 27 KELVIN.
REASSIGNING VELOCITIES AT STEP 28 TO 28 KELVIN.
REASSIGNING VELOCITIES AT STEP 29 TO 29 KELVIN.
REASSIGNING VELOCITIES AT STEP 30 TO 30 KELVIN.
REASSIGNING VELOCITIES AT STEP 31 TO 31 KELVIN.
REASSIGNING VELOCITIES AT STEP 32 TO 32 KELVIN.
REASSIGNING VELOCITIES AT STEP 33 TO 33 KELVIN.
REASSIGNING VELOCITIES AT STEP 34 TO 34 KELVIN.
REASSIGNING VELOCITIES AT STEP 35 TO 35 KELVIN.
REASSIGNING VELOCITIES AT STEP 36 TO 36 KELVIN.
REASSIGNING VELOCITIES AT STEP 37 TO 37 KELVIN.
REASSIGNING VELOCITIES AT STEP 38 TO 38 KELVIN.
REASSIGNING VELOCITIES AT STEP 39 TO 39 KELVIN.
REASSIGNING VELOCITIES AT STEP 40 TO 40 KELVIN.
REASSIGNING VELOCITIES AT STEP 41 TO 41 KELVIN.
REASSIGNING VELOCITIES AT STEP 42 TO 42 KELVIN.
REASSIGNING VELOCITIES AT STEP 43 TO 43 KELVIN.
REASSIGNING VELOCITIES AT STEP 44 TO 44 KELVIN.
REASSIGNING VELOCITIES AT STEP 45 TO 45 KELVIN.
REASSIGNING VELOCITIES AT STEP 46 TO 46 KELVIN.
REASSIGNING VELOCITIES AT STEP 47 TO 47 KELVIN.
REASSIGNING VELOCITIES AT STEP 48 TO 48 KELVIN.
REASSIGNING VELOCITIES AT STEP 49 TO 49 KELVIN.
REASSIGNING VELOCITIES AT STEP 50 TO 50 KELVIN.
REASSIGNING VELOCITIES AT STEP 51 TO 51 KELVIN.
REASSIGNING VELOCITIES AT STEP 52 TO 52 KELVIN.
REASSIGNING VELOCITIES AT STEP 53 TO 53 KELVIN.
REASSIGNING VELOCITIES AT STEP 54 TO 54 KELVIN.
REASSIGNING VELOCITIES AT STEP 55 TO 55 KELVIN.
REASSIGNING VELOCITIES AT STEP 56 TO 56 KELVIN.
REASSIGNING VELOCITIES AT STEP 57 TO 57 KELVIN.
REASSIGNING VELOCITIES AT STEP 58 TO 58 KELVIN.
REASSIGNING VELOCITIES AT STEP 59 TO 59 KELVIN.
REASSIGNING VELOCITIES AT STEP 60 TO 60 KELVIN.
REASSIGNING VELOCITIES AT STEP 61 TO 61 KELVIN.
REASSIGNING VELOCITIES AT STEP 62 TO 62 KELVIN.
REASSIGNING VELOCITIES AT STEP 63 TO 63 KELVIN.
REASSIGNING VELOCITIES AT STEP 64 TO 64 KELVIN.
REASSIGNING VELOCITIES AT STEP 65 TO 65 KELVIN.
REASSIGNING VELOCITIES AT STEP 66 TO 66 KELVIN.
REASSIGNING VELOCITIES AT STEP 67 TO 67 KELVIN.
REASSIGNING VELOCITIES AT STEP 68 TO 68 KELVIN.
REASSIGNING VELOCITIES AT STEP 69 TO 69 KELVIN.
REASSIGNING VELOCITIES AT STEP 70 TO 70 KELVIN.
REASSIGNING VELOCITIES AT STEP 71 TO 71 KELVIN.
REASSIGNING VELOCITIES AT STEP 72 TO 72 KELVIN.
REASSIGNING VELOCITIES AT STEP 73 TO 73 KELVIN.
REASSIGNING VELOCITIES AT STEP 74 TO 74 KELVIN.
REASSIGNING VELOCITIES AT STEP 75 TO 75 KELVIN.
REASSIGNING VELOCITIES AT STEP 76 TO 76 KELVIN.
REASSIGNING VELOCITIES AT STEP 77 TO 77 KELVIN.
REASSIGNING VELOCITIES AT STEP 78 TO 78 KELVIN.
REASSIGNING VELOCITIES AT STEP 79 TO 79 KELVIN.
REASSIGNING VELOCITIES AT STEP 80 TO 80 KELVIN.
REASSIGNING VELOCITIES AT STEP 81 TO 81 KELVIN.
REASSIGNING VELOCITIES AT STEP 82 TO 82 KELVIN.
REASSIGNING VELOCITIES AT STEP 83 TO 83 KELVIN.
REASSIGNING VELOCITIES AT STEP 84 TO 84 KELVIN.
REASSIGNING VELOCITIES AT STEP 85 TO 85 KELVIN.
REASSIGNING VELOCITIES AT STEP 86 TO 86 KELVIN.
REASSIGNING VELOCITIES AT STEP 87 TO 87 KELVIN.
REASSIGNING VELOCITIES AT STEP 88 TO 88 KELVIN.
REASSIGNING VELOCITIES AT STEP 89 TO 89 KELVIN.
REASSIGNING VELOCITIES AT STEP 90 TO 90 KELVIN.
REASSIGNING VELOCITIES AT STEP 91 TO 91 KELVIN.
REASSIGNING VELOCITIES AT STEP 92 TO 92 KELVIN.
REASSIGNING VELOCITIES AT STEP 93 TO 93 KELVIN.
REASSIGNING VELOCITIES AT STEP 94 TO 94 KELVIN.
REASSIGNING VELOCITIES AT STEP 95 TO 95 KELVIN.
REASSIGNING VELOCITIES AT STEP 96 TO 96 KELVIN.
REASSIGNING VELOCITIES AT STEP 97 TO 97 KELVIN.
REASSIGNING VELOCITIES AT STEP 98 TO 98 KELVIN.
REASSIGNING VELOCITIES AT STEP 99 TO 99 KELVIN.
REASSIGNING VELOCITIES AT STEP 100 TO 100 KELVIN.
Info: Initial time: 48 CPUs 0.115443 s/step 1.33614 days/ns 7460 kB memory
TIMING: 100  CPU: 0.26, 0.0023/step  Wall: 12.6775, 0.120345/step, 0.0133716 hours remaining, 7460 kB of memory in use.
ENERGY:     100      1117.2878       545.8789       144.6551         1.9647        -238237.0046      3389.6999       662.2212         0.0000      2323.4887        -230051.8083        99.5261   -229992.1975   -230054.1579        50.4838         -14021.3357    -16176.0100    101160.6151    -16318.2670    -16290.1452

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100
OPENING COORDINATE DCD FILE
WRITING COORDINATES TO DCD FILE AT STEP 100
WRITING COORDINATES TO RESTART FILE AT STEP 100
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 100
FINISHED WRITING RESTART VELOCITIES
REASSIGNING VELOCITIES AT STEP 101 TO 101 KELVIN.
REASSIGNING VELOCITIES AT STEP 102 TO 102 KELVIN.
REASSIGNING VELOCITIES AT STEP 103 TO 103 KELVIN.
REASSIGNING VELOCITIES AT STEP 104 TO 104 KELVIN.
REASSIGNING VELOCITIES AT STEP 105 TO 105 KELVIN.
REASSIGNING VELOCITIES AT STEP 106 TO 106 KELVIN.
REASSIGNING VELOCITIES AT STEP 107 TO 107 KELVIN.
REASSIGNING VELOCITIES AT STEP 108 TO 108 KELVIN.
REASSIGNING VELOCITIES AT STEP 109 TO 109 KELVIN.
REASSIGNING VELOCITIES AT STEP 110 TO 110 KELVIN.
REASSIGNING VELOCITIES AT STEP 111 TO 111 KELVIN.
REASSIGNING VELOCITIES AT STEP 112 TO 112 KELVIN.
REASSIGNING VELOCITIES AT STEP 113 TO 113 KELVIN.
REASSIGNING VELOCITIES AT STEP 114 TO 114 KELVIN.
REASSIGNING VELOCITIES AT STEP 115 TO 115 KELVIN.
REASSIGNING VELOCITIES AT STEP 116 TO 116 KELVIN.
REASSIGNING VELOCITIES AT STEP 117 TO 117 KELVIN.
REASSIGNING VELOCITIES AT STEP 118 TO 118 KELVIN.
REASSIGNING VELOCITIES AT STEP 119 TO 119 KELVIN.
REASSIGNING VELOCITIES AT STEP 120 TO 120 KELVIN.
REASSIGNING VELOCITIES AT STEP 121 TO 121 KELVIN.
REASSIGNING VELOCITIES AT STEP 122 TO 122 KELVIN.
REASSIGNING VELOCITIES AT STEP 123 TO 123 KELVIN.
REASSIGNING VELOCITIES AT STEP 124 TO 124 KELVIN.
REASSIGNING VELOCITIES AT STEP 125 TO 125 KELVIN.
REASSIGNING VELOCITIES AT STEP 126 TO 126 KELVIN.
REASSIGNING VELOCITIES AT STEP 127 TO 127 KELVIN.
REASSIGNING VELOCITIES AT STEP 128 TO 128 KELVIN.
REASSIGNING VELOCITIES AT STEP 129 TO 129 KELVIN.
REASSIGNING VELOCITIES AT STEP 130 TO 130 KELVIN.
REASSIGNING VELOCITIES AT STEP 131 TO 131 KELVIN.
REASSIGNING VELOCITIES AT STEP 132 TO 132 KELVIN.
REASSIGNING VELOCITIES AT STEP 133 TO 133 KELVIN.
REASSIGNING VELOCITIES AT STEP 134 TO 134 KELVIN.
REASSIGNING VELOCITIES AT STEP 135 TO 135 KELVIN.
REASSIGNING VELOCITIES AT STEP 136 TO 136 KELVIN.
REASSIGNING VELOCITIES AT STEP 137 TO 137 KELVIN.
REASSIGNING VELOCITIES AT STEP 138 TO 138 KELVIN.
REASSIGNING VELOCITIES AT STEP 139 TO 139 KELVIN.
REASSIGNING VELOCITIES AT STEP 140 TO 140 KELVIN.
REASSIGNING VELOCITIES AT STEP 141 TO 141 KELVIN.
REASSIGNING VELOCITIES AT STEP 142 TO 142 KELVIN.
REASSIGNING VELOCITIES AT STEP 143 TO 143 KELVIN.
REASSIGNING VELOCITIES AT STEP 144 TO 144 KELVIN.
REASSIGNING VELOCITIES AT STEP 145 TO 145 KELVIN.
REASSIGNING VELOCITIES AT STEP 146 TO 146 KELVIN.
REASSIGNING VELOCITIES AT STEP 147 TO 147 KELVIN.
REASSIGNING VELOCITIES AT STEP 148 TO 148 KELVIN.
REASSIGNING VELOCITIES AT STEP 149 TO 149 KELVIN.
REASSIGNING VELOCITIES AT STEP 150 TO 150 KELVIN.
REASSIGNING VELOCITIES AT STEP 151 TO 151 KELVIN.
REASSIGNING VELOCITIES AT STEP 152 TO 152 KELVIN.
REASSIGNING VELOCITIES AT STEP 153 TO 153 KELVIN.
REASSIGNING VELOCITIES AT STEP 154 TO 154 KELVIN.
REASSIGNING VELOCITIES AT STEP 155 TO 155 KELVIN.
REASSIGNING VELOCITIES AT STEP 156 TO 156 KELVIN.
REASSIGNING VELOCITIES AT STEP 157 TO 157 KELVIN.
REASSIGNING VELOCITIES AT STEP 158 TO 158 KELVIN.
REASSIGNING VELOCITIES AT STEP 159 TO 159 KELVIN.
REASSIGNING VELOCITIES AT STEP 160 TO 160 KELVIN.
REASSIGNING VELOCITIES AT STEP 161 TO 161 KELVIN.
REASSIGNING VELOCITIES AT STEP 162 TO 162 KELVIN.
REASSIGNING VELOCITIES AT STEP 163 TO 163 KELVIN.
REASSIGNING VELOCITIES AT STEP 164 TO 164 KELVIN.
REASSIGNING VELOCITIES AT STEP 165 TO 165 KELVIN.
REASSIGNING VELOCITIES AT STEP 166 TO 166 KELVIN.
REASSIGNING VELOCITIES AT STEP 167 TO 167 KELVIN.
REASSIGNING VELOCITIES AT STEP 168 TO 168 KELVIN.
REASSIGNING VELOCITIES AT STEP 169 TO 169 KELVIN.
REASSIGNING VELOCITIES AT STEP 170 TO 170 KELVIN.
REASSIGNING VELOCITIES AT STEP 171 TO 171 KELVIN.
REASSIGNING VELOCITIES AT STEP 172 TO 172 KELVIN.
REASSIGNING VELOCITIES AT STEP 173 TO 173 KELVIN.
REASSIGNING VELOCITIES AT STEP 174 TO 174 KELVIN.
REASSIGNING VELOCITIES AT STEP 175 TO 175 KELVIN.
REASSIGNING VELOCITIES AT STEP 176 TO 176 KELVIN.
REASSIGNING VELOCITIES AT STEP 177 TO 177 KELVIN.
REASSIGNING VELOCITIES AT STEP 178 TO 178 KELVIN.
REASSIGNING VELOCITIES AT STEP 179 TO 179 KELVIN.
REASSIGNING VELOCITIES AT STEP 180 TO 180 KELVIN.
REASSIGNING VELOCITIES AT STEP 181 TO 181 KELVIN.
REASSIGNING VELOCITIES AT STEP 182 TO 182 KELVIN.
REASSIGNING VELOCITIES AT STEP 183 TO 183 KELVIN.
REASSIGNING VELOCITIES AT STEP 184 TO 184 KELVIN.
REASSIGNING VELOCITIES AT STEP 185 TO 185 KELVIN.
REASSIGNING VELOCITIES AT STEP 186 TO 186 KELVIN.
REASSIGNING VELOCITIES AT STEP 187 TO 187 KELVIN.
REASSIGNING VELOCITIES AT STEP 188 TO 188 KELVIN.
REASSIGNING VELOCITIES AT STEP 189 TO 189 KELVIN.
REASSIGNING VELOCITIES AT STEP 190 TO 190 KELVIN.
REASSIGNING VELOCITIES AT STEP 191 TO 191 KELVIN.
REASSIGNING VELOCITIES AT STEP 192 TO 192 KELVIN.
REASSIGNING VELOCITIES AT STEP 193 TO 193 KELVIN.
REASSIGNING VELOCITIES AT STEP 194 TO 194 KELVIN.
REASSIGNING VELOCITIES AT STEP 195 TO 195 KELVIN.
REASSIGNING VELOCITIES AT STEP 196 TO 196 KELVIN.
REASSIGNING VELOCITIES AT STEP 197 TO 197 KELVIN.
REASSIGNING VELOCITIES AT STEP 198 TO 198 KELVIN.
REASSIGNING VELOCITIES AT STEP 199 TO 199 KELVIN.
LDB:  LOAD: AVG 0.925001 MAX 8.41033  MSGS: TOTAL 51 MAXC 3 MAXP 17  None
Info: Adjusted background load on 40 nodes.
Info: 945 of 945 computes have background load > 0.576357
Info: 945 of 945 computes have background load > 0.691628
Info: 945 of 945 computes have background load > 0.8069
Info: 945 of 945 computes have background load > 0.922171
Info: 945 of 945 computes have background load > 1.03744
Info: 945 of 945 computes have background load > 1.15271
Info: 945 of 945 computes have background load > 1.26799
Info: 945 of 945 computes have background load > 1.38326
Info: 810 of 945 computes have background load > 1.49853
Info: 810 of 945 computes have background load > 1.6138
Info: 810 of 945 computes have background load > 1.72907
Info: 810 of 945 computes have background load > 1.84434
Info: 810 of 945 computes have background load > 1.95961
Info: 810 of 945 computes have background load > 2.07488
Info: 810 of 945 computes have background load > 2.19016
Info: 810 of 945 computes have background load > 2.30543
Info: 810 of 945 computes have background load > 2.4207
Info: 810 of 945 computes have background load > 2.53597
Info: 810 of 945 computes have background load > 2.65124
Info: 810 of 945 computes have background load > 2.76651
Info: 810 of 945 computes have background load > 2.88178
Info: 810 of 945 computes have background load > 2.99706
Info: 810 of 945 computes have background load > 3.11233
Info: 810 of 945 computes have background load > 3.2276
Info: 810 of 945 computes have background load > 3.34287
Info: 810 of 945 computes have background load > 3.45814
Info: 810 of 945 computes have background load > 3.57341
Info: 810 of 945 computes have background load > 3.68868
Info: 810 of 945 computes have background load > 3.80396
Info: 810 of 945 computes have background load > 3.91923
Info: 810 of 945 computes have background load > 4.0345
Info: 810 of 945 computes have background load > 4.14977
Info: 810 of 945 computes have background load > 4.26504
Info: 810 of 945 computes have background load > 4.38031
Info: 810 of 945 computes have background load > 4.49558
Info: 810 of 945 computes have background load > 4.61086
Info: 810 of 945 computes have background load > 4.72613
Info: 810 of 945 computes have background load > 4.8414
Info: 810 of 945 computes have background load > 4.95667
Info: 810 of 945 computes have background load > 5.07194
Info: 495 of 945 computes have background load > 5.18721
Info: 495 of 945 computes have background load > 5.30248
LDB:  LOAD: AVG 1.15271 MAX 5.31579  MSGS: TOTAL 58 MAXC 3 MAXP 20  Alg7
Warning: 3 processors are overloaded due to high background load.
LDB:  LOAD: AVG 1.15271 MAX 5.31579  MSGS: TOTAL 58 MAXC 3 MAXP 20  Alg7
REASSIGNING VELOCITIES AT STEP 200 TO 200 KELVIN.
Info: Initial time: 48 CPUs 0.116875 s/step 1.35272 days/ns 8708 kB memory
TIMING: 200  CPU: 0.62, 0.0036/step  Wall: 24.9596, 0.122821/step, 0.0102351 hours remaining, 8708 kB of memory in use.
ENERGY:     200      1638.6775       783.1122       148.3969         3.6263        -238297.9460      3496.9400       666.7788         0.0000      4612.6249        -226947.7893       197.5807   -226872.4952   -226930.9042       150.6690         -13471.4203    -15590.9049    101160.6151    -15777.2472    -15901.2532

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200
WRITING COORDINATES TO DCD FILE AT STEP 200
WRITING COORDINATES TO RESTART FILE AT STEP 200
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 200
FINISHED WRITING RESTART VELOCITIES
REASSIGNING VELOCITIES AT STEP 201 TO 201 KELVIN.
REASSIGNING VELOCITIES AT STEP 202 TO 202 KELVIN.
REASSIGNING VELOCITIES AT STEP 203 TO 203 KELVIN.
REASSIGNING VELOCITIES AT STEP 204 TO 204 KELVIN.
REASSIGNING VELOCITIES AT STEP 205 TO 205 KELVIN.
REASSIGNING VELOCITIES AT STEP 206 TO 206 KELVIN.
REASSIGNING VELOCITIES AT STEP 207 TO 207 KELVIN.
REASSIGNING VELOCITIES AT STEP 208 TO 208 KELVIN.
REASSIGNING VELOCITIES AT STEP 209 TO 209 KELVIN.
REASSIGNING VELOCITIES AT STEP 210 TO 210 KELVIN.
REASSIGNING VELOCITIES AT STEP 211 TO 211 KELVIN.
REASSIGNING VELOCITIES AT STEP 212 TO 212 KELVIN.
REASSIGNING VELOCITIES AT STEP 213 TO 213 KELVIN.
REASSIGNING VELOCITIES AT STEP 214 TO 214 KELVIN.
REASSIGNING VELOCITIES AT STEP 215 TO 215 KELVIN.
REASSIGNING VELOCITIES AT STEP 216 TO 216 KELVIN.
REASSIGNING VELOCITIES AT STEP 217 TO 217 KELVIN.
REASSIGNING VELOCITIES AT STEP 218 TO 218 KELVIN.
REASSIGNING VELOCITIES AT STEP 219 TO 219 KELVIN.
REASSIGNING VELOCITIES AT STEP 220 TO 220 KELVIN.
REASSIGNING VELOCITIES AT STEP 221 TO 221 KELVIN.
REASSIGNING VELOCITIES AT STEP 222 TO 222 KELVIN.
REASSIGNING VELOCITIES AT STEP 223 TO 223 KELVIN.
REASSIGNING VELOCITIES AT STEP 224 TO 224 KELVIN.
REASSIGNING VELOCITIES AT STEP 225 TO 225 KELVIN.
REASSIGNING VELOCITIES AT STEP 226 TO 226 KELVIN.
REASSIGNING VELOCITIES AT STEP 227 TO 227 KELVIN.
REASSIGNING VELOCITIES AT STEP 228 TO 228 KELVIN.
REASSIGNING VELOCITIES AT STEP 229 TO 229 KELVIN.
REASSIGNING VELOCITIES AT STEP 230 TO 230 KELVIN.
REASSIGNING VELOCITIES AT STEP 231 TO 231 KELVIN.
REASSIGNING VELOCITIES AT STEP 232 TO 232 KELVIN.
REASSIGNING VELOCITIES AT STEP 233 TO 233 KELVIN.
REASSIGNING VELOCITIES AT STEP 234 TO 234 KELVIN.
REASSIGNING VELOCITIES AT STEP 235 TO 235 KELVIN.
REASSIGNING VELOCITIES AT STEP 236 TO 236 KELVIN.
REASSIGNING VELOCITIES AT STEP 237 TO 237 KELVIN.
REASSIGNING VELOCITIES AT STEP 238 TO 238 KELVIN.
REASSIGNING VELOCITIES AT STEP 239 TO 239 KELVIN.
REASSIGNING VELOCITIES AT STEP 240 TO 240 KELVIN.
REASSIGNING VELOCITIES AT STEP 241 TO 241 KELVIN.
REASSIGNING VELOCITIES AT STEP 242 TO 242 KELVIN.
REASSIGNING VELOCITIES AT STEP 243 TO 243 KELVIN.
REASSIGNING VELOCITIES AT STEP 244 TO 244 KELVIN.
REASSIGNING VELOCITIES AT STEP 245 TO 245 KELVIN.
REASSIGNING VELOCITIES AT STEP 246 TO 246 KELVIN.
REASSIGNING VELOCITIES AT STEP 247 TO 247 KELVIN.
REASSIGNING VELOCITIES AT STEP 248 TO 248 KELVIN.
REASSIGNING VELOCITIES AT STEP 249 TO 249 KELVIN.
REASSIGNING VELOCITIES AT STEP 250 TO 250 KELVIN.
REASSIGNING VELOCITIES AT STEP 251 TO 251 KELVIN.
REASSIGNING VELOCITIES AT STEP 252 TO 252 KELVIN.
REASSIGNING VELOCITIES AT STEP 253 TO 253 KELVIN.
REASSIGNING VELOCITIES AT STEP 254 TO 254 KELVIN.
REASSIGNING VELOCITIES AT STEP 255 TO 255 KELVIN.
REASSIGNING VELOCITIES AT STEP 256 TO 256 KELVIN.
REASSIGNING VELOCITIES AT STEP 257 TO 257 KELVIN.
REASSIGNING VELOCITIES AT STEP 258 TO 258 KELVIN.
REASSIGNING VELOCITIES AT STEP 259 TO 259 KELVIN.
REASSIGNING VELOCITIES AT STEP 260 TO 260 KELVIN.
REASSIGNING VELOCITIES AT STEP 261 TO 261 KELVIN.
REASSIGNING VELOCITIES AT STEP 262 TO 262 KELVIN.
REASSIGNING VELOCITIES AT STEP 263 TO 263 KELVIN.
REASSIGNING VELOCITIES AT STEP 264 TO 264 KELVIN.
REASSIGNING VELOCITIES AT STEP 265 TO 265 KELVIN.
REASSIGNING VELOCITIES AT STEP 266 TO 266 KELVIN.
REASSIGNING VELOCITIES AT STEP 267 TO 267 KELVIN.
REASSIGNING VELOCITIES AT STEP 268 TO 268 KELVIN.
REASSIGNING VELOCITIES AT STEP 269 TO 269 KELVIN.
REASSIGNING VELOCITIES AT STEP 270 TO 270 KELVIN.
REASSIGNING VELOCITIES AT STEP 271 TO 271 KELVIN.
REASSIGNING VELOCITIES AT STEP 272 TO 272 KELVIN.
REASSIGNING VELOCITIES AT STEP 273 TO 273 KELVIN.
REASSIGNING VELOCITIES AT STEP 274 TO 274 KELVIN.
REASSIGNING VELOCITIES AT STEP 275 TO 275 KELVIN.
REASSIGNING VELOCITIES AT STEP 276 TO 276 KELVIN.
REASSIGNING VELOCITIES AT STEP 277 TO 277 KELVIN.
REASSIGNING VELOCITIES AT STEP 278 TO 278 KELVIN.
REASSIGNING VELOCITIES AT STEP 279 TO 279 KELVIN.
REASSIGNING VELOCITIES AT STEP 280 TO 280 KELVIN.
REASSIGNING VELOCITIES AT STEP 281 TO 281 KELVIN.
REASSIGNING VELOCITIES AT STEP 282 TO 282 KELVIN.
REASSIGNING VELOCITIES AT STEP 283 TO 283 KELVIN.
REASSIGNING VELOCITIES AT STEP 284 TO 284 KELVIN.
REASSIGNING VELOCITIES AT STEP 285 TO 285 KELVIN.
REASSIGNING VELOCITIES AT STEP 286 TO 286 KELVIN.
REASSIGNING VELOCITIES AT STEP 287 TO 287 KELVIN.
REASSIGNING VELOCITIES AT STEP 288 TO 288 KELVIN.
REASSIGNING VELOCITIES AT STEP 289 TO 289 KELVIN.
REASSIGNING VELOCITIES AT STEP 290 TO 290 KELVIN.
REASSIGNING VELOCITIES AT STEP 291 TO 291 KELVIN.
REASSIGNING VELOCITIES AT STEP 292 TO 292 KELVIN.
REASSIGNING VELOCITIES AT STEP 293 TO 293 KELVIN.
REASSIGNING VELOCITIES AT STEP 294 TO 294 KELVIN.
REASSIGNING VELOCITIES AT STEP 295 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 296 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 297 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 298 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 299 TO 295 KELVIN.
LDB:  LOAD: AVG 1.33409 MAX 9.09257  MSGS: TOTAL 58 MAXC 3 MAXP 20  None
Warning: 3 processors are overloaded due to high background load.
LDB:  LOAD: AVG 1.33409 MAX 9.09257  MSGS: TOTAL 58 MAXC 3 MAXP 20  Refine
REASSIGNING VELOCITIES AT STEP 300 TO 295 KELVIN.
Info: Initial time: 48 CPUs 0.215198 s/step 2.49072 days/ns 8760 kB memory
TIMING: 300  CPU: 1.53, 0.0091/step  Wall: 46.9458, 0.219862/step, 0.0122146 hours remaining, 8760 kB of memory in use.
ENERGY:     300      2102.3332       976.1524       148.1412         5.2427        -238200.5951      3679.6958       672.8601         0.0000      7067.1213        -223549.0483       302.7185   -223473.2194   -223467.5138       250.2552         -12607.6824    -14298.3604    101160.6151    -15082.7583    -15007.4451

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300
WRITING COORDINATES TO DCD FILE AT STEP 300
WRITING COORDINATES TO RESTART FILE AT STEP 300
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 300
FINISHED WRITING RESTART VELOCITIES
REASSIGNING VELOCITIES AT STEP 301 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 302 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 303 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 304 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 305 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 306 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 307 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 308 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 309 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 310 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 311 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 312 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 313 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 314 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 315 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 316 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 317 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 318 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 319 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 320 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 321 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 322 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 323 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 324 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 325 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 326 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 327 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 328 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 329 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 330 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 331 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 332 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 333 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 334 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 335 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 336 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 337 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 338 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 339 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 340 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 341 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 342 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 343 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 344 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 345 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 346 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 347 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 348 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 349 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 350 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 351 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 352 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 353 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 354 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 355 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 356 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 357 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 358 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 359 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 360 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 361 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 362 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 363 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 364 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 365 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 366 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 367 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 368 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 369 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 370 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 371 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 372 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 373 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 374 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 375 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 376 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 377 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 378 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 379 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 380 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 381 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 382 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 383 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 384 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 385 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 386 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 387 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 388 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 389 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 390 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 391 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 392 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 393 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 394 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 395 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 396 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 397 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 398 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 399 TO 295 KELVIN.
LDB:  LOAD: AVG 1.30835 MAX 8.38438  MSGS: TOTAL 58 MAXC 3 MAXP 20  None
Warning: 3 processors are overloaded due to high background load.
LDB:  LOAD: AVG 1.30835 MAX 8.38438  MSGS: TOTAL 58 MAXC 3 MAXP 20  Refine
REASSIGNING VELOCITIES AT STEP 400 TO 295 KELVIN.
Info: Benchmark time: 48 CPUs 0.216086 s/step 2.50099 days/ns 8896 kB memory
TIMING: 400  CPU: 2.44, 0.0091/step  Wall: 69.0315, 0.220857/step, 0.00613491 hours remaining, 8896 kB of memory in use.
ENERGY:     400      2136.4578       995.9643       155.3574         4.0108        -238160.4807      3842.3684       676.8552         0.0000      6908.5237        -223440.9432       295.9250   -223339.6498   -223378.9596       295.1419         -12181.2967    -13803.2297    101160.6151    -14079.2487    -14098.8846

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400
WRITING COORDINATES TO DCD FILE AT STEP 400
WRITING COORDINATES TO RESTART FILE AT STEP 400
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 400
FINISHED WRITING RESTART VELOCITIES
REASSIGNING VELOCITIES AT STEP 401 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 402 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 403 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 404 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 405 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 406 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 407 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 408 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 409 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 410 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 411 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 412 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 413 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 414 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 415 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 416 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 417 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 418 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 419 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 420 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 421 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 422 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 423 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 424 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 425 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 426 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 427 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 428 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 429 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 430 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 431 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 432 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 433 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 434 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 435 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 436 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 437 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 438 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 439 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 440 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 441 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 442 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 443 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 444 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 445 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 446 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 447 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 448 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 449 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 450 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 451 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 452 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 453 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 454 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 455 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 456 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 457 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 458 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 459 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 460 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 461 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 462 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 463 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 464 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 465 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 466 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 467 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 468 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 469 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 470 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 471 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 472 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 473 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 474 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 475 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 476 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 477 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 478 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 479 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 480 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 481 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 482 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 483 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 484 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 485 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 486 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 487 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 488 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 489 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 490 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 491 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 492 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 493 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 494 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 495 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 496 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 497 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 498 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 499 TO 295 KELVIN.
REASSIGNING VELOCITIES AT STEP 500 TO 295 KELVIN.
Info: Benchmark time: 48 CPUs 0.225705 s/step 2.61233 days/ns 9028 kB memory
TIMING: 500  CPU: 3.24, 0.008/step  Wall: 91.6026, 0.225711/step, 0 hours remaining, 9028 kB of memory in use.
ENERGY:     500      2131.0607       948.5989       161.1011         4.5515        -238052.4177      3961.1178       680.1543         0.0000      6941.1227        -223224.7108       297.3214   -223135.7592   -223111.0904       295.0548         -11496.5785    -13176.7096    101160.6151    -13430.4766    -13487.2597

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500
WRITING COORDINATES TO DCD FILE AT STEP 500
WRITING COORDINATES TO RESTART FILE AT STEP 500
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 500
FINISHED WRITING RESTART VELOCITIES
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
CLOSING EXTENDED SYSTEM TRAJECTORY FILE
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
CLOSING COORDINATE DCD FILE
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
==========================================
WallClock: 94.141509  CPUTime: 4.770000  Memory: 9028 kB