Friday, November 01 2024 06:37:38
UNRES
4.46s| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT nodes 1 rank 0 Processor 0 out of 1 rank in CG_COMM 0 size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Inside initialize MPI: node= 0 iseed= -3059742 indpdb= 42 pdbref= T Call Read_Bridge. ns= 0 ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! Processor 0 0 0 ivec_start 1 ivec_end 76 Processor 0 0 0 ivec_start 1 ivec_end 76 icheckgrad= 1 CG processor 0 is finishing work. Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG STOP Bye Bye... Largest abs(1-numerical/analytical)= 0.00022 Sorted: 1 9.99933E-01 2 9.99991E-01 3 9.99997E-01 4 9.99998E-01 5 9.99999E-01 6 9.99999E-01 7 9.99999E-01 8 9.99999E-01 9 9.99999E-01 10 9.99999E-01 11 9.99999E-01 12 9.99999E-01 13 1.00000E+00 14 1.00000E+00 15 1.00000E+00 16 1.00000E+00 17 1.00000E+00 18 1.00000E+00 19 1.00000E+00 20 1.00000E+00 21 1.00000E+00 22 1.00000E+00 23 1.00000E+00 24 1.00000E+00 25 1.00000E+00 26 1.00000E+00 27 1.00000E+00 28 1.00000E+00 29 1.00000E+00 30 1.00000E+00 31 1.00000E+00 32 1.00000E+00 33 1.00000E+00 34 1.00000E+00 35 1.00000E+00 36 1.00000E+00 37 1.00000E+00 38 1.00000E+00 39 1.00000E+00 40 1.00000E+00 41 1.00000E+00 42 1.00000E+00 43 1.00000E+00 44 1.00000E+00 45 1.00000E+00 46 1.00000E+00 47 1.00000E+00 48 1.00000E+00 49 1.00000E+00 50 1.00000E+00 51 1.00000E+00 52 1.00000E+00 53 1.00000E+00 54 1.00000E+00 55 1.00000E+00 56 1.00000E+00 57 1.00000E+00 58 1.00000E+00 59 1.00000E+00 60 1.00000E+00 61 1.00000E+00 62 1.00000E+00 63 1.00000E+00 64 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129 1.00000E+00 130 1.00000E+00 131 1.00000E+00 132 1.00000E+00 133 1.00000E+00 134 1.00000E+00 135 1.00000E+00 136 1.00000E+00 137 1.00000E+00 138 1.00000E+00 139 1.00000E+00 140 1.00000E+00 141 1.00000E+00 142 1.00000E+00 143 1.00000E+00 144 1.00000E+00 145 1.00000E+00 146 1.00000E+00 147 1.00000E+00 148 1.00000E+00 149 1.00000E+00 150 1.00000E+00 151 1.00000E+00 152 1.00000E+00 153 1.00000E+00 154 1.00000E+00 155 1.00000E+00 156 1.00000E+00 157 1.00000E+00 158 1.00000E+00 159 1.00000E+00 160 1.00000E+00 161 1.00000E+00 162 1.00000E+00 163 1.00000E+00 164 1.00000E+00 165 1.00000E+00 166 1.00000E+00 167 1.00000E+00 168 1.00000E+00 169 1.00000E+00 170 1.00000E+00 171 1.00000E+00 172 1.00000E+00 173 1.00000E+00 174 1.00000E+00 175 1.00000E+00 176 1.00000E+00 177 1.00000E+00 178 1.00000E+00 179 1.00000E+00 180 1.00000E+00 181 1.00000E+00 182 1.00000E+00 183 1.00000E+00 184 1.00000E+00 185 1.00000E+00 186 1.00000E+00 187 1.00000E+00 188 1.00000E+00 189 1.00000E+00 190 1.00000E+00 191 1.00000E+00 192 1.00000E+00 193 1.00000E+00 194 1.00000E+00 195 1.00000E+00 196 1.00000E+00 197 1.00000E+00 198 1.00000E+00 199 1.00000E+00 200 1.00000E+00 201 1.00000E+00 202 1.00000E+00 203 1.00000E+00 204 1.00000E+00 205 1.00000E+00 206 1.00000E+00 207 1.00000E+00 208 1.00000E+00 209 1.00000E+00 210 1.00000E+00 211 1.00000E+00 212 1.00000E+00 213 1.00000E+00 214 1.00000E+00 215 1.00000E+00 216 1.00000E+00 217 1.00000E+00 218 1.00000E+00 219 1.00000E+00 220 1.00000E+00 221 1.00000E+00 222 1.00000E+00 223 1.00000E+00 224 1.00000E+00 225 1.00000E+00 226 1.00000E+00 227 1.00000E+00 228 1.00000E+00 229 1.00000E+00 230 1.00000E+00 231 1.00000E+00 232 1.00000E+00 233 1.00000E+00 234 1.00000E+00 235 1.00000E+00 236 1.00000E+00 237 1.00000E+00 238 1.00000E+00 239 1.00000E+00 240 1.00000E+00 241 1.00000E+00 242 1.00000E+00 243 1.00000E+00 244 1.00000E+00 245 1.00000E+00 246 1.00000E+00 247 1.00000E+00 248 1.00000E+00 249 1.00000E+00 250 1.00000E+00 251 1.00000E+00 252 1.00000E+00 253 1.00000E+00 254 1.00000E+00 255 1.00000E+00 256 1.00000E+00 257 1.00000E+00 258 1.00000E+00 259 1.00000E+00 260 1.00000E+00 261 1.00000E+00 262 1.00000E+00 263 1.00000E+00 264 1.00000E+00 265 1.00000E+00 266 1.00000E+00 267 1.00000E+00 268 1.00000E+00 269 1.00000E+00 270 1.00000E+00 271 1.00000E+00 272 1.00000E+00 273 1.00000E+00 274 1.00000E+00 275 1.00000E+00 276 1.00000E+00 277 1.00000E+00 278 1.00000E+00 279 1.00000E+00 280 1.00000E+00 281 1.00000E+00 282 1.00000E+00 283 1.00000E+00 284 1.00000E+00 285 1.00000E+00 286 1.00000E+00 287 1.00000E+00 288 1.00000E+00 289 1.00000E+00 290 1.00000E+00 291 1.00000E+00 292 1.00000E+00 293 1.00000E+00 294 1.00000E+00 295 1.00000E+00 296 1.00000E+00 297 1.00000E+00 298 1.00000E+00 299 1.00000E+00 300 1.00000E+00 301 1.00000E+00 302 1.00000E+00 303 1.00000E+00 304 1.00000E+00 305 1.00000E+00 306 1.00000E+00 307 1.00000E+00 308 1.00000E+00 309 1.00000E+00 310 1.00000E+00 311 1.00000E+00 312 1.00000E+00 313 1.00000E+00 314 1.00000E+00 315 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