| 1 | gezelter | 1490 | #ifdef IS_MPI | 
| 2 |  |  | #include <stdlib.h> | 
| 3 |  |  | #include <stdio.h> | 
| 4 |  |  | #include <string.h> | 
| 5 |  |  |  | 
| 6 |  |  | #define __mpiBASSEVENT | 
| 7 |  |  | #include "mpiBASS.h" | 
| 8 |  |  | #include "simError.h" | 
| 9 |  |  |  | 
| 10 |  |  |  | 
| 11 |  |  | void mpiCatchEvent(void); | 
| 12 |  |  |  | 
| 13 |  |  |  | 
| 14 |  |  |  | 
| 15 |  |  |  | 
| 16 |  |  | void mpiEventInit(void) | 
| 17 |  |  | { | 
| 18 |  |  | int blockCounts[5] = {1,3,1,120,80}; | 
| 19 |  |  | MPI_Aint dspls[5]; | 
| 20 |  |  | MPI_Datatype types[5]; | 
| 21 |  |  | mBEvent protoEvent; | 
| 22 |  |  |  | 
| 23 |  |  | int i; | 
| 24 |  |  |  | 
| 25 |  |  | MPI_Address(&protoEvent.type, &dspls[0]); | 
| 26 |  |  | MPI_Address(&protoEvent.d1, &dspls[1]); | 
| 27 |  |  | MPI_Address(&protoEvent.i1, &dspls[2]); | 
| 28 |  |  | MPI_Address(&protoEvent.cArray, &dspls[3]); | 
| 29 |  |  | MPI_Address(&protoEvent.lhs   , &dspls[4]); | 
| 30 |  |  |  | 
| 31 |  |  |  | 
| 32 |  |  | types[0] = MPI_INT; | 
| 33 |  |  | types[1] = MPI_DOUBLE; | 
| 34 |  |  | types[2] = MPI_INT; | 
| 35 |  |  | types[3] = MPI_CHAR; | 
| 36 |  |  | types[4] = MPI_CHAR; | 
| 37 |  |  |  | 
| 38 |  |  |  | 
| 39 |  |  | for (i =4; i >= 0; i--) dspls[i] -= dspls[0]; | 
| 40 |  |  |  | 
| 41 |  |  | MPI_Type_struct(5,blockCounts,dspls,types,&mpiBASSEventType); | 
| 42 |  |  | MPI_Type_commit(&mpiBASSEventType); | 
| 43 |  |  | } | 
| 44 |  |  |  | 
| 45 |  |  |  | 
| 46 |  |  | void throwMPIEvent(event* the_event) | 
| 47 |  |  | { | 
| 48 |  |  | mBEvent mpiEventContainer; | 
| 49 |  |  | int mpiStatus; | 
| 50 |  |  |  | 
| 51 |  |  |  | 
| 52 |  |  | if (the_event == NULL)     mpiStatus = MPI_INTERFACE_DONE; | 
| 53 |  |  | else                       mpiStatus = MPI_INTERFACE_CONTINUE; | 
| 54 |  |  |  | 
| 55 |  |  | MPI_Bcast(&mpiStatus,1,MPI_INT,0,MPI_COMM_WORLD); | 
| 56 |  |  |  | 
| 57 |  |  | if (!mpiStatus){ | 
| 58 |  |  | switch (the_event->event_type){ | 
| 59 |  |  | case MOLECULE: | 
| 60 |  |  | mpiEventContainer.type = mpiMOLECULE; | 
| 61 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 62 |  |  | break; | 
| 63 |  |  |  | 
| 64 |  |  | case RIGIDBODY: | 
| 65 |  |  | mpiEventContainer.type = mpiRIGIDBODY; | 
| 66 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 67 |  |  | break; | 
| 68 |  |  |  | 
| 69 |  |  | case CUTOFFGROUP: | 
| 70 |  |  | mpiEventContainer.type = mpiCUTOFFGROUP; | 
| 71 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 72 |  |  | break; | 
| 73 |  |  |  | 
| 74 |  |  | case ATOM: | 
| 75 |  |  | mpiEventContainer.type = mpiATOM; | 
| 76 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 77 |  |  | break; | 
| 78 |  |  |  | 
| 79 |  |  | case BOND: | 
| 80 |  |  | mpiEventContainer.type = mpiBOND; | 
| 81 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 82 |  |  | break; | 
| 83 |  |  |  | 
| 84 |  |  | case BEND: | 
| 85 |  |  | mpiEventContainer.type = mpiBEND; | 
| 86 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 87 |  |  | break; | 
| 88 |  |  |  | 
| 89 |  |  | case TORSION: | 
| 90 |  |  | mpiEventContainer.type = mpiTORSION; | 
| 91 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 92 |  |  | break; | 
| 93 |  |  |  | 
| 94 |  |  | case ZCONSTRAINT: | 
| 95 |  |  | mpiEventContainer.type = mpiZCONSTRAINT; | 
| 96 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 97 |  |  | break; | 
| 98 |  |  |  | 
| 99 |  |  | case COMPONENT: | 
| 100 |  |  | mpiEventContainer.type = mpiCOMPONENT; | 
| 101 |  |  | mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int | 
| 102 |  |  | break; | 
| 103 |  |  |  | 
| 104 |  |  | case POSITION: | 
| 105 |  |  | mpiEventContainer.type = mpiPOSITION; | 
| 106 |  |  | mpiEventContainer.d1 = the_event->evt.pos.x; // pack pos coord into d | 
| 107 |  |  | mpiEventContainer.d2 = the_event->evt.pos.y; | 
| 108 |  |  | mpiEventContainer.d3 = the_event->evt.pos.z; | 
| 109 |  |  | break; | 
| 110 |  |  |  | 
| 111 |  |  | case ORIENTATION: | 
| 112 |  |  | mpiEventContainer.type = mpiORIENTATION; | 
| 113 |  |  | mpiEventContainer.d1 = the_event->evt.ornt.phi; // pack orientation coord into d | 
| 114 |  |  | mpiEventContainer.d2 = the_event->evt.ornt.theta; | 
| 115 |  |  | mpiEventContainer.d3 = the_event->evt.ornt.psi; | 
| 116 |  |  | break; | 
| 117 |  |  |  | 
| 118 |  |  | case CONSTRAINT: | 
| 119 |  |  | mpiEventContainer.type = mpiCONSTRAINT; | 
| 120 |  |  | mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d | 
| 121 |  |  | break; | 
| 122 |  |  |  | 
| 123 |  |  | case MEMBERS: | 
| 124 |  |  | mpiEventContainer.type = mpiMEMBERS; | 
| 125 |  |  | mpiEventContainer.i1 = the_event->evt.mbrs.nMembers ; // pack member ints into i | 
| 126 |  |  | break; | 
| 127 |  |  |  | 
| 128 |  |  | case ASSIGNMENT: | 
| 129 |  |  |  | 
| 130 |  |  | strcpy(mpiEventContainer.lhs,the_event->evt.asmt.lhs); | 
| 131 |  |  |  | 
| 132 |  |  | #ifdef MPIBASS_VERBOSE | 
| 133 |  |  |  | 
| 134 |  |  | fprintf(stderr, | 
| 135 |  |  | "mpiDiag at node %d: evt Assignment: \"%s\" = ?\n" | 
| 136 |  |  | "                    mpi Assignment: \"%s\" = ?\n", | 
| 137 |  |  | worldRank, | 
| 138 |  |  | the_event->evt.asmt.lhs, | 
| 139 |  |  | mpiEventContainer.lhs); | 
| 140 |  |  | #endif | 
| 141 |  |  |  | 
| 142 |  |  | switch (the_event->evt.asmt.asmt_type){ | 
| 143 |  |  | case STRING: | 
| 144 |  |  | mpiEventContainer.type = mpiASSIGNMENT_s; | 
| 145 |  |  | strcpy(mpiEventContainer.cArray,the_event->evt.asmt.rhs.sval); | 
| 146 |  |  | break; | 
| 147 |  |  |  | 
| 148 |  |  | case INT: | 
| 149 |  |  | mpiEventContainer.type = mpiASSIGNMENT_i; | 
| 150 |  |  | mpiEventContainer.i1 = the_event->evt.asmt.rhs.ival; | 
| 151 |  |  | break; | 
| 152 |  |  |  | 
| 153 |  |  | case DOUBLE: | 
| 154 |  |  | mpiEventContainer.type = mpiASSIGNMENT_d; | 
| 155 |  |  | mpiEventContainer.d1 = the_event->evt.asmt.rhs.dval; | 
| 156 |  |  | break; | 
| 157 |  |  | } | 
| 158 |  |  | break; | 
| 159 |  |  |  | 
| 160 |  |  | case BLOCK_END: | 
| 161 |  |  | mpiEventContainer.type = mpiBLOCK_END; | 
| 162 |  |  | break; | 
| 163 |  |  | } | 
| 164 |  |  |  | 
| 165 |  |  |  | 
| 166 |  |  | MPI_Bcast(&mpiEventContainer,1,mpiBASSEventType,0,MPI_COMM_WORLD); | 
| 167 |  |  |  | 
| 168 |  |  | if (the_event->event_type == MEMBERS) { | 
| 169 |  |  |  | 
| 170 |  |  | // For member lists, we need a separate broadcast to spew out the | 
| 171 |  |  | // membership array: | 
| 172 |  |  | MPI_Bcast(the_event->evt.mbrs.memberList, the_event->evt.mbrs.nMembers, | 
| 173 |  |  | MPI_INT, 0, MPI_COMM_WORLD); | 
| 174 |  |  |  | 
| 175 |  |  | } | 
| 176 |  |  |  | 
| 177 |  |  | sprintf( checkPointMsg, | 
| 178 |  |  | "BASS Event broadcast successful" ); | 
| 179 |  |  |  | 
| 180 |  |  | MPIcheckPoint(); | 
| 181 |  |  | } | 
| 182 |  |  | } | 
| 183 |  |  |  | 
| 184 |  |  |  | 
| 185 |  |  | // Everybody but node 0 runs this | 
| 186 |  |  | void mpiEventLoop(void) | 
| 187 |  |  | { | 
| 188 |  |  | int mpiContinue; | 
| 189 |  |  |  | 
| 190 |  |  | #ifdef MPIBASS_VERBOSE | 
| 191 |  |  | fprintf(stderr, | 
| 192 |  |  | "event key List at node %d:\n" | 
| 193 |  |  | "  MOLECULE    %d\n" | 
| 194 |  |  | "  ATOM        %d\n" | 
| 195 |  |  | "  BOND        %d\n" | 
| 196 |  |  | "  BEND        %d\n" | 
| 197 |  |  | "  TORSION     %d\n" | 
| 198 |  |  | "  COMPONENT   %d\n" | 
| 199 |  |  | "  POSITION    %d\n" | 
| 200 |  |  | "  ASSIGNMENT  %d\n" | 
| 201 |  |  | "  MEMBERS     %d\n" | 
| 202 |  |  | "  CONSTRAINT  %d\n" | 
| 203 |  |  | "  ORIENTATION %d\n" | 
| 204 |  |  | "  ZCONSTRAINT %d\n" | 
| 205 |  |  | "  RIGIDBODY   %d\n" | 
| 206 |  |  | "  CUTOFFGROUP %d\n" | 
| 207 |  |  | "  BLOCK_END   %d\n" | 
| 208 |  |  | "\n", | 
| 209 |  |  | worldRank, | 
| 210 |  |  | MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, | 
| 211 |  |  | POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, | 
| 212 |  |  | ZCONSTRAINT, RIGIDBODY, CUTOFFGROUP, BLOCK_END ); | 
| 213 |  |  | #endif | 
| 214 |  |  |  | 
| 215 |  |  | MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); | 
| 216 |  |  |  | 
| 217 |  |  | while(!mpiContinue){ | 
| 218 |  |  |  | 
| 219 |  |  | mpiCatchEvent(); | 
| 220 |  |  |  | 
| 221 |  |  | MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); | 
| 222 |  |  | } | 
| 223 |  |  |  | 
| 224 |  |  | if (mpiContinue == MPI_INTERFACE_ABORT){ | 
| 225 |  |  | MPI_Finalize(); | 
| 226 |  |  | exit (0); | 
| 227 |  |  | } | 
| 228 |  |  | } | 
| 229 |  |  |  | 
| 230 |  |  | void mpiCatchEvent(void) | 
| 231 |  |  | { | 
| 232 |  |  | event the_event; | 
| 233 |  |  | mBEvent mpiEventContainer; | 
| 234 |  |  |  | 
| 235 |  |  |  | 
| 236 |  |  | MPI_Bcast(&mpiEventContainer,1,mpiBASSEventType,0,MPI_COMM_WORLD); | 
| 237 |  |  |  | 
| 238 |  |  | switch (mpiEventContainer.type){ | 
| 239 |  |  | case mpiMOLECULE: | 
| 240 |  |  | the_event.event_type = MOLECULE; | 
| 241 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 242 |  |  | break; | 
| 243 |  |  |  | 
| 244 |  |  | case mpiRIGIDBODY: | 
| 245 |  |  | the_event.event_type = RIGIDBODY; | 
| 246 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 247 |  |  | break; | 
| 248 |  |  |  | 
| 249 |  |  | case mpiCUTOFFGROUP: | 
| 250 |  |  | the_event.event_type = CUTOFFGROUP; | 
| 251 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 252 |  |  | break; | 
| 253 |  |  |  | 
| 254 |  |  | case mpiATOM: | 
| 255 |  |  | the_event.event_type = ATOM; | 
| 256 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 257 |  |  | break; | 
| 258 |  |  |  | 
| 259 |  |  | case mpiBOND: | 
| 260 |  |  | the_event.event_type = BOND; | 
| 261 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 262 |  |  | break; | 
| 263 |  |  |  | 
| 264 |  |  | case mpiBEND: | 
| 265 |  |  | the_event.event_type = BEND; | 
| 266 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 267 |  |  | break; | 
| 268 |  |  |  | 
| 269 |  |  | case mpiTORSION: | 
| 270 |  |  | the_event.event_type = TORSION; | 
| 271 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 272 |  |  | break; | 
| 273 |  |  |  | 
| 274 |  |  | case mpiZCONSTRAINT: | 
| 275 |  |  | the_event.event_type = ZCONSTRAINT; | 
| 276 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 277 |  |  | break; | 
| 278 |  |  |  | 
| 279 |  |  | case mpiCOMPONENT: | 
| 280 |  |  | the_event.event_type = COMPONENT; | 
| 281 |  |  | the_event.evt.blk_index = mpiEventContainer.i1; | 
| 282 |  |  | break; | 
| 283 |  |  |  | 
| 284 |  |  |  | 
| 285 |  |  | case mpiPOSITION: | 
| 286 |  |  | the_event.event_type = POSITION; | 
| 287 |  |  | the_event.evt.pos.x = mpiEventContainer.d1; | 
| 288 |  |  | the_event.evt.pos.y = mpiEventContainer.d2; | 
| 289 |  |  | the_event.evt.pos.z = mpiEventContainer.d3; | 
| 290 |  |  | break; | 
| 291 |  |  |  | 
| 292 |  |  | case mpiORIENTATION: | 
| 293 |  |  | the_event.event_type = ORIENTATION; | 
| 294 |  |  | the_event.evt.ornt.phi   = mpiEventContainer.d1; | 
| 295 |  |  | the_event.evt.ornt.theta = mpiEventContainer.d2; | 
| 296 |  |  | the_event.evt.ornt.psi   = mpiEventContainer.d3; | 
| 297 |  |  | break; | 
| 298 |  |  |  | 
| 299 |  |  | case mpiCONSTRAINT: | 
| 300 |  |  | the_event.event_type = CONSTRAINT; | 
| 301 |  |  | the_event.evt.cnstr = mpiEventContainer.d1; | 
| 302 |  |  | break; | 
| 303 |  |  |  | 
| 304 |  |  | case mpiMEMBERS: | 
| 305 |  |  | the_event.event_type = MEMBERS; | 
| 306 |  |  | the_event.evt.mbrs.nMembers = mpiEventContainer.i1; | 
| 307 |  |  |  | 
| 308 |  |  | the_event.evt.mbrs.memberList = (int *) calloc(the_event.evt.mbrs.nMembers, | 
| 309 |  |  | sizeof(int)); | 
| 310 |  |  |  | 
| 311 |  |  | // Grab the member list since we have a number of members: | 
| 312 |  |  | MPI_Bcast(the_event.evt.mbrs.memberList, the_event.evt.mbrs.nMembers, | 
| 313 |  |  | MPI_INT, 0, MPI_COMM_WORLD); | 
| 314 |  |  |  | 
| 315 |  |  | break; | 
| 316 |  |  |  | 
| 317 |  |  | case mpiASSIGNMENT_s: | 
| 318 |  |  | the_event.event_type = ASSIGNMENT; | 
| 319 |  |  | the_event.evt.asmt.asmt_type = STRING; | 
| 320 |  |  | strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); | 
| 321 |  |  | strcpy(the_event.evt.asmt.rhs.sval,mpiEventContainer.cArray); | 
| 322 |  |  |  | 
| 323 |  |  | #ifdef MPIBASS_VERBOSE | 
| 324 |  |  |  | 
| 325 |  |  | fprintf(stderr, "mpiDiag at node %d: Assignment:  %s = %s\n", worldRank, | 
| 326 |  |  | the_event.evt.asmt.lhs, | 
| 327 |  |  | the_event.evt.asmt.rhs.sval ); | 
| 328 |  |  | #endif | 
| 329 |  |  |  | 
| 330 |  |  | break; | 
| 331 |  |  |  | 
| 332 |  |  | case mpiASSIGNMENT_i: | 
| 333 |  |  | the_event.event_type = ASSIGNMENT; | 
| 334 |  |  | the_event.evt.asmt.asmt_type = INT; | 
| 335 |  |  | strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); | 
| 336 |  |  | the_event.evt.asmt.rhs.ival = mpiEventContainer.i1; | 
| 337 |  |  |  | 
| 338 |  |  | #ifdef MPIBASS_VERBOSE | 
| 339 |  |  |  | 
| 340 |  |  | fprintf(stderr, "mpiDiag at node %d: Assignment:  %s = %d\n", worldRank, | 
| 341 |  |  | the_event.evt.asmt.lhs, | 
| 342 |  |  | the_event.evt.asmt.rhs.ival ); | 
| 343 |  |  | #endif | 
| 344 |  |  |  | 
| 345 |  |  | break; | 
| 346 |  |  |  | 
| 347 |  |  | case mpiASSIGNMENT_d: | 
| 348 |  |  | the_event.event_type = ASSIGNMENT; | 
| 349 |  |  | the_event.evt.asmt.asmt_type = DOUBLE; | 
| 350 |  |  | strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); | 
| 351 |  |  | the_event.evt.asmt.rhs.dval = mpiEventContainer.d1; | 
| 352 |  |  |  | 
| 353 |  |  | #ifdef MPIBASS_VERBOSE | 
| 354 |  |  |  | 
| 355 |  |  | fprintf(stderr, "mpiDiag at node %d: Assignment:  %s = %lf\n", worldRank, | 
| 356 |  |  | the_event.evt.asmt.lhs, | 
| 357 |  |  | the_event.evt.asmt.rhs.dval ); | 
| 358 |  |  | #endif | 
| 359 |  |  |  | 
| 360 |  |  | break; | 
| 361 |  |  |  | 
| 362 |  |  | case mpiBLOCK_END: | 
| 363 |  |  | the_event.event_type = BLOCK_END; | 
| 364 |  |  | break; | 
| 365 |  |  | } | 
| 366 |  |  |  | 
| 367 |  |  | #ifdef MPIBASS_VERBOSE | 
| 368 |  |  |  | 
| 369 |  |  | fprintf(stderr, "mpiDiag at node %d: event type is %d\n", worldRank, | 
| 370 |  |  | the_event.event_type); | 
| 371 |  |  | #endif | 
| 372 |  |  |  | 
| 373 |  |  | if (!event_handler(&the_event)){ | 
| 374 |  |  |  | 
| 375 |  |  | sprintf(painCave.errMsg, | 
| 376 |  |  | "MPI event handling error at node %d => %s\n", | 
| 377 |  |  | worldRank, | 
| 378 |  |  | the_event.err_msg); | 
| 379 |  |  | painCave.isFatal = 1; | 
| 380 |  |  | simError(); | 
| 381 |  |  | } | 
| 382 |  |  | MPIcheckPoint(); | 
| 383 |  |  | } | 
| 384 |  |  |  | 
| 385 |  |  |  | 
| 386 |  |  | void mpiInterfaceExit(void){ | 
| 387 |  |  | int mpiStatus = MPI_INTERFACE_ABORT; | 
| 388 |  |  |  | 
| 389 |  |  | MPI_Bcast(&mpiStatus,1,MPI_INT,0,MPI_COMM_WORLD); | 
| 390 |  |  | MPI_Finalize(); | 
| 391 |  |  | exit (0); | 
| 392 |  |  |  | 
| 393 |  |  | } | 
| 394 |  |  | #endif |