20 November 2007 9:13:28.388 AM MD FORTRAN77 version A molecular dynamics program. The number of processors available: OMP_GET_NUM_PROCS () = 1 The number of threads is 1 This is processor 0 Step Pot Energy Kin Energy (P+K-E0)/E0 1 124434. 0.00000 0.00000 2 124434. 0.172600E-05 0.138708E-10 3 124434. 0.155340E-04 0.138693E-10 4 124434. 0.431500E-04 0.138719E-10 5 124434. 0.845740E-04 0.138697E-10 6 124434. 0.139806E-03 0.138712E-10 7 124434. 0.208846E-03 0.138699E-10 8 124434. 0.291694E-03 0.138675E-10 9 124434. 0.388350E-03 0.138690E-10 10 124434. 0.498814E-03 0.138697E-10 11 124434. 0.623087E-03 0.138696E-10 12 124434. 0.761167E-03 0.138697E-10 13 124434. 0.913055E-03 0.138717E-10 14 124434. 0.107875E-02 0.138666E-10 15 124434. 0.125826E-02 0.138666E-10 16 124434. 0.145157E-02 0.138666E-10 17 124434. 0.165869E-02 0.138700E-10 18 124434. 0.187962E-02 0.138679E-10 19 124434. 0.211436E-02 0.138666E-10 20 124434. 0.236290E-02 0.138634E-10 21 124434. 0.262526E-02 0.138643E-10 22 124434. 0.290142E-02 0.138620E-10 23 124434. 0.319139E-02 0.138622E-10 24 124434. 0.349517E-02 0.138616E-10 25 124434. 0.381276E-02 0.138586E-10 26 124434. 0.414415E-02 0.138560E-10 27 124434. 0.448936E-02 0.138574E-10 28 124434. 0.484837E-02 0.138505E-10 29 124434. 0.522119E-02 0.138456E-10 30 124434. 0.560782E-02 0.138432E-10 31 124434. 0.600826E-02 0.138459E-10 32 124434. 0.642251E-02 0.138375E-10 33 124434. 0.685057E-02 0.138396E-10 34 124434. 0.729244E-02 0.138345E-10 35 124434. 0.774811E-02 0.138303E-10 36 124434. 0.821760E-02 0.138245E-10 37 124434. 0.870089E-02 0.138242E-10 38 124434. 0.919799E-02 0.138147E-10 39 124434. 0.970891E-02 0.138091E-10 40 124434. 0.102336E-01 0.138045E-10 41 124434. 0.107722E-01 0.138020E-10 42 124434. 0.113245E-01 0.137951E-10 43 124434. 0.118906E-01 0.137898E-10 44 124434. 0.124706E-01 0.137859E-10 45 124434. 0.130644E-01 0.137754E-10 46 124434. 0.136720E-01 0.137685E-10 47 124434. 0.142933E-01 0.137590E-10 48 124434. 0.149285E-01 0.137566E-10 49 124434. 0.155776E-01 0.137476E-10 50 124434. 0.162404E-01 0.137412E-10 51 124434. 0.169170E-01 0.137262E-10 52 124434. 0.176074E-01 0.137199E-10 53 124434. 0.183117E-01 0.137104E-10 54 124434. 0.190298E-01 0.136988E-10 55 124434. 0.197616E-01 0.136904E-10 56 124434. 0.205073E-01 0.136777E-10 57 124434. 0.212668E-01 0.136692E-10 58 124434. 0.220401E-01 0.136553E-10 59 124434. 0.228272E-01 0.136463E-10 60 124434. 0.236282E-01 0.136308E-10 61 124434. 0.244429E-01 0.136167E-10 62 124434. 0.252715E-01 0.136051E-10 63 124434. 0.261138E-01 0.135912E-10 64 124434. 0.269700E-01 0.135775E-10 65 124434. 0.278400E-01 0.135605E-10 66 124434. 0.287238E-01 0.135464E-10 67 124434. 0.296214E-01 0.135288E-10 68 124434. 0.305328E-01 0.135117E-10 69 124434. 0.314580E-01 0.134942E-10 70 124434. 0.323971E-01 0.134765E-10 71 124434. 0.333499E-01 0.134592E-10 72 124434. 0.343166E-01 0.134419E-10 73 124434. 0.352971E-01 0.134214E-10 74 124434. 0.362914E-01 0.134032E-10 75 124434. 0.372995E-01 0.133846E-10 76 124434. 0.383214E-01 0.133612E-10 77 124434. 0.393572E-01 0.133399E-10 78 124434. 0.404067E-01 0.133190E-10 79 124434. 0.414701E-01 0.132976E-10 80 124434. 0.425473E-01 0.132714E-10 81 124434. 0.436383E-01 0.132454E-10 82 124434. 0.447431E-01 0.132237E-10 83 124434. 0.458617E-01 0.131948E-10 84 124434. 0.469942E-01 0.131753E-10 85 124434. 0.481404E-01 0.131445E-10 86 124434. 0.493005E-01 0.131178E-10 87 124434. 0.504744E-01 0.130895E-10 88 124434. 0.516621E-01 0.130597E-10 89 124434. 0.528636E-01 0.130339E-10 90 124434. 0.540789E-01 0.130008E-10 91 124434. 0.553080E-01 0.129704E-10 92 124434. 0.565510E-01 0.129398E-10 93 124434. 0.578078E-01 0.129072E-10 94 124434. 0.590784E-01 0.128728E-10 95 124434. 0.603628E-01 0.128409E-10 96 124434. 0.616610E-01 0.128023E-10 97 124434. 0.629731E-01 0.127719E-10 98 124434. 0.642989E-01 0.127384E-10 99 124434. 0.656386E-01 0.127002E-10 100 124434. 0.669921E-01 0.126615E-10 101 124434. 0.683594E-01 0.126257E-10 102 124434. 0.697406E-01 0.125848E-10 103 124434. 0.711355E-01 0.125511E-10 104 124434. 0.725443E-01 0.125040E-10 105 124434. 0.739669E-01 0.124629E-10 106 124434. 0.754033E-01 0.124219E-10 107 124434. 0.768535E-01 0.123759E-10 108 124434. 0.783175E-01 0.123355E-10 109 124434. 0.797954E-01 0.122900E-10 110 124434. 0.812871E-01 0.122438E-10 111 124434. 0.827926E-01 0.121962E-10 112 124434. 0.843119E-01 0.121480E-10 113 124434. 0.858451E-01 0.121023E-10 114 124434. 0.873920E-01 0.120531E-10 115 124434. 0.889528E-01 0.120008E-10 116 124434. 0.905274E-01 0.119510E-10 117 124434. 0.921158E-01 0.119018E-10 118 124434. 0.937181E-01 0.118477E-10 119 124434. 0.953342E-01 0.117921E-10 120 124434. 0.969641E-01 0.117414E-10 121 124434. 0.986078E-01 0.116844E-10 122 124434. 0.100265 0.116242E-10 123 124434. 0.101937 0.115674E-10 124 124434. 0.103622 0.115072E-10 125 124434. 0.105321 0.114510E-10 126 124434. 0.107034 0.113901E-10 127 124434. 0.108760 0.113309E-10 128 124434. 0.110501 0.112632E-10 129 124434. 0.112255 0.111994E-10 130 124434. 0.114023 0.111356E-10 131 124434. 0.115805 0.110688E-10 132 124434. 0.117601 0.110031E-10 133 124434. 0.119411 0.109359E-10 134 124434. 0.121234 0.108656E-10 135 124434. 0.123071 0.107982E-10 136 124434. 0.124922 0.107260E-10 137 124434. 0.126787 0.106559E-10 138 124434. 0.128666 0.105814E-10 139 124434. 0.130559 0.105096E-10 140 124434. 0.132465 0.104320E-10 141 124434. 0.134385 0.103554E-10 142 124434. 0.136319 0.102771E-10 143 124434. 0.138267 0.101992E-10 144 124434. 0.140229 0.101196E-10 145 124434. 0.142204 0.100354E-10 146 124434. 0.144194 0.995506E-11 147 124434. 0.146197 0.986981E-11 148 124434. 0.148214 0.978689E-11 149 124434. 0.150245 0.969965E-11 150 124434. 0.152289 0.961522E-11 151 124434. 0.154348 0.952271E-11 152 124434. 0.156420 0.943536E-11 153 124434. 0.158506 0.934741E-11 154 124434. 0.160606 0.925304E-11 155 124434. 0.162720 0.915960E-11 156 124434. 0.164848 0.906464E-11 157 124434. 0.166989 0.897015E-11 158 124434. 0.169145 0.887542E-11 159 124434. 0.171314 0.877590E-11 160 124434. 0.173497 0.867767E-11 161 124434. 0.175694 0.857499E-11 162 124434. 0.177904 0.847454E-11 163 124434. 0.180129 0.837022E-11 164 124434. 0.182367 0.826766E-11 165 124434. 0.184619 0.815902E-11 166 124434. 0.186885 0.805155E-11 167 124434. 0.189165 0.794711E-11 168 124434. 0.191459 0.783286E-11 169 124434. 0.193766 0.772550E-11 170 124434. 0.196087 0.760949E-11 171 124434. 0.198423 0.749594E-11 172 124434. 0.200772 0.738028E-11 173 124434. 0.203135 0.726322E-11 174 124434. 0.205511 0.714627E-11 175 124434. 0.207902 0.702793E-11 176 124434. 0.210306 0.690396E-11 177 124434. 0.212724 0.678164E-11 178 124434. 0.215156 0.665943E-11 179 124434. 0.217602 0.653266E-11 180 124434. 0.220062 0.640519E-11 181 124434. 0.222536 0.627889E-11 182 124434. 0.225023 0.614792E-11 183 124434. 0.227524 0.601401E-11 184 124434. 0.230039 0.588350E-11 185 124434. 0.232568 0.575135E-11 186 124434. 0.235111 0.561465E-11 187 124434. 0.237668 0.547595E-11 188 124434. 0.240238 0.533772E-11 189 124434. 0.242822 0.519797E-11 190 124434. 0.245420 0.505062E-11 191 124434. 0.248032 0.490994E-11 192 124434. 0.250658 0.476843E-11 193 124434. 0.253298 0.461979E-11 194 124434. 0.255951 0.447221E-11 195 124434. 0.258619 0.432240E-11 196 124434. 0.261300 0.417517E-11 197 124434. 0.263995 0.401753E-11 198 124434. 0.266704 0.386597E-11 199 124434. 0.269427 0.371265E-11 200 124434. 0.272163 0.355478E-11 201 124434. 0.274914 0.339082E-11 202 124434. 0.277678 0.323400E-11 203 124434. 0.280456 0.307016E-11 204 124434. 0.283248 0.290749E-11 205 124434. 0.286054 0.273932E-11 206 124434. 0.288874 0.257513E-11 207 124434. 0.291707 0.240416E-11 208 124434. 0.294555 0.223412E-11 209 124434. 0.297416 0.206197E-11 210 124434. 0.300291 0.188784E-11 211 124434. 0.303180 0.171055E-11 212 124434. 0.306083 0.153490E-11 213 124434. 0.308999 0.135609E-11 214 124434. 0.311930 0.117623E-11 215 124434. 0.314874 0.992395E-12 216 124434. 0.317833 0.807856E-12 217 124434. 0.320805 0.622615E-12 218 124434. 0.323791 0.436556E-12 219 124434. 0.326790 0.245234E-12 220 124434. 0.329804 0.537947E-13 221 124434. 0.332832 -0.138931E-12 222 124434. 0.335873 -0.332475E-12 223 124434. 0.338928 -0.528942E-12 224 124434. 0.341997 -0.727632E-12 225 124434. 0.345080 -0.927257E-12 226 124433. 0.348177 -0.113355E-11 227 124433. 0.351288 -0.133832E-11 228 124433. 0.354412 -0.153876E-11 229 124433. 0.357550 -0.174938E-11 230 124433. 0.360703 -0.195743E-11 231 124433. 0.363869 -0.216465E-11 232 124433. 0.367049 -0.238357E-11 233 124433. 0.370242 -0.259571E-11 234 124433. 0.373450 -0.281452E-11 235 124433. 0.376672 -0.303180E-11 236 124433. 0.379907 -0.325505E-11 237 124433. 0.383156 -0.347654E-11 238 124433. 0.386419 -0.370248E-11 239 124433. 0.389696 -0.392666E-11 240 124433. 0.392987 -0.415576E-11 241 124433. 0.396292 -0.438497E-11 242 124433. 0.399611 -0.461675E-11 243 124433. 0.402943 -0.485322E-11 244 124433. 0.406289 -0.508722E-11 245 124433. 0.409650 -0.532544E-11 246 124433. 0.413024 -0.556717E-11 247 124433. 0.416412 -0.580749E-11 248 124433. 0.419813 -0.605050E-11 249 124433. 0.423229 -0.629749E-11 250 124433. 0.426659 -0.654541E-11 251 124433. 0.430102 -0.679497E-11 252 124433. 0.433559 -0.705085E-11 253 124433. 0.437030 -0.730193E-11 254 124433. 0.440516 -0.756225E-11 255 124433. 0.444014 -0.781438E-11 256 124433. 0.447527 -0.807879E-11 257 124433. 0.451054 -0.833865E-11 258 124433. 0.454594 -0.860575E-11 259 124433. 0.458149 -0.887098E-11 260 124433. 0.461717 -0.913948E-11 261 124433. 0.465299 -0.940916E-11 262 124433. 0.468895 -0.968293E-11 263 124433. 0.472505 -0.995716E-11 264 124433. 0.476129 -0.102348E-10 265 124433. 0.479767 -0.105160E-10 266 124433. 0.483418 -0.107940E-10 267 124433. 0.487083 -0.110795E-10 268 124433. 0.490763 -0.113660E-10 269 124433. 0.494456 -0.116520E-10 270 124433. 0.498163 -0.119404E-10 271 124433. 0.501884 -0.122362E-10 272 124433. 0.505619 -0.125295E-10 273 124433. 0.509367 -0.128270E-10 274 124433. 0.513130 -0.131244E-10 275 124433. 0.516907 -0.134288E-10 276 124433. 0.520697 -0.137277E-10 277 124433. 0.524501 -0.140362E-10 278 124433. 0.528319 -0.143458E-10 279 124433. 0.532151 -0.146554E-10 280 124433. 0.535997 -0.149652E-10 281 124433. 0.539857 -0.152770E-10 282 124433. 0.543731 -0.155948E-10 283 124433. 0.547618 -0.159129E-10 284 124433. 0.551520 -0.162343E-10 285 124433. 0.555435 -0.165596E-10 286 124433. 0.559364 -0.168866E-10 287 124433. 0.563307 -0.172141E-10 288 124433. 0.567264 -0.175442E-10 289 124433. 0.571235 -0.178762E-10 290 124433. 0.575220 -0.182129E-10 291 124433. 0.579219 -0.185484E-10 292 124433. 0.583231 -0.188865E-10 293 124433. 0.587258 -0.192316E-10 294 124433. 0.591298 -0.195765E-10 295 124433. 0.595352 -0.199225E-10 296 124433. 0.599421 -0.202717E-10 297 124433. 0.603503 -0.206255E-10 298 124433. 0.607599 -0.209816E-10 299 124433. 0.611708 -0.213344E-10 300 124433. 0.615832 -0.216941E-10 301 124433. 0.619970 -0.220563E-10 302 124433. 0.624121 -0.224188E-10 303 124433. 0.628287 -0.227860E-10 304 124433. 0.632466 -0.231541E-10 305 124433. 0.636659 -0.235210E-10 306 124433. 0.640867 -0.239002E-10 307 124433. 0.645088 -0.242778E-10 308 124433. 0.649323 -0.246532E-10 309 124433. 0.653571 -0.250331E-10 310 124433. 0.657834 -0.254175E-10 311 124433. 0.662111 -0.258091E-10 312 124433. 0.666401 -0.261914E-10 313 124433. 0.670706 -0.265848E-10 314 124433. 0.675024 -0.269812E-10 315 124433. 0.679357 -0.273785E-10 316 124433. 0.683703 -0.277737E-10 317 124433. 0.688063 -0.281747E-10 318 124433. 0.692437 -0.285793E-10 319 124433. 0.696825 -0.289868E-10 320 124433. 0.701227 -0.293951E-10 321 124433. 0.705642 -0.298062E-10 322 124433. 0.710072 -0.302193E-10 323 124433. 0.714516 -0.306382E-10 324 124433. 0.718973 -0.310579E-10 325 124433. 0.723445 -0.314780E-10 326 124433. 0.727930 -0.319068E-10 327 124433. 0.732429 -0.323325E-10 328 124433. 0.736942 -0.327609E-10 329 124433. 0.741469 -0.331939E-10 330 124433. 0.746010 -0.336288E-10 331 124433. 0.750565 -0.340682E-10 332 124433. 0.755134 -0.345098E-10 333 124433. 0.759717 -0.349492E-10 334 124433. 0.764313 -0.353984E-10 335 124433. 0.768924 -0.358456E-10 336 124433. 0.773549 -0.362997E-10 337 124433. 0.778187 -0.367507E-10 338 124433. 0.782839 -0.372093E-10 339 124433. 0.787506 -0.376662E-10 340 124433. 0.792186 -0.381313E-10 341 124433. 0.796880 -0.385980E-10 342 124433. 0.801588 -0.390637E-10 343 124433. 0.806310 -0.395322E-10 344 124433. 0.811046 -0.400083E-10 345 124433. 0.815796 -0.404831E-10 346 124433. 0.820559 -0.409619E-10 347 124433. 0.825337 -0.414471E-10 348 124433. 0.830129 -0.419278E-10 349 124433. 0.834934 -0.424164E-10 350 124433. 0.839754 -0.429088E-10 351 124433. 0.844587 -0.433986E-10 352 124433. 0.849434 -0.438924E-10 353 124433. 0.854296 -0.443934E-10 354 124433. 0.859171 -0.448954E-10 355 124433. 0.864060 -0.453980E-10 356 124433. 0.868963 -0.459075E-10 357 124433. 0.873880 -0.464168E-10 358 124433. 0.878811 -0.469294E-10 359 124433. 0.883756 -0.474476E-10 360 124433. 0.888715 -0.479636E-10 361 124433. 0.893688 -0.484883E-10 362 124433. 0.898674 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978 124427. 6.66040 -0.123939E-08 979 124427. 6.67421 -0.124321E-08 980 124427. 6.68803 -0.124705E-08 981 124427. 6.70186 -0.125090E-08 982 124427. 6.71571 -0.125475E-08 983 124427. 6.72958 -0.125860E-08 984 124427. 6.74346 -0.126247E-08 985 124427. 6.75736 -0.126633E-08 986 124427. 6.77127 -0.127022E-08 987 124427. 6.78519 -0.127411E-08 988 124427. 6.79913 -0.127801E-08 989 124427. 6.81308 -0.128191E-08 990 124427. 6.82705 -0.128583E-08 991 124427. 6.84104 -0.128975E-08 992 124427. 6.85504 -0.129368E-08 993 124427. 6.86905 -0.129762E-08 994 124427. 6.88308 -0.130156E-08 995 124427. 6.89712 -0.130551E-08 996 124427. 6.91118 -0.130947E-08 997 124427. 6.92525 -0.131343E-08 998 124427. 6.93934 -0.131740E-08 999 124427. 6.95344 -0.132138E-08 1000 124427. 6.96756 -0.132536E-08 Elapsed wall clock time for main computation: 233.931 seconds MD Normal end of execution. 20 November 2007 9:17:22.586 AM