| 15 | 
  | 
 | 
| 16 | 
  | 
void mpiEventInit(void) | 
| 17 | 
  | 
{ | 
| 18 | 
< | 
  int blockCounts[5] = {1,3,4,120,80}; | 
| 18 | 
> | 
  int blockCounts[5] = {1,3,1,120,80}; | 
| 19 | 
  | 
  MPI_Aint dspls[5]; | 
| 20 | 
  | 
  MPI_Datatype types[5]; | 
| 21 | 
  | 
  mBEvent protoEvent; | 
| 105 | 
  | 
 | 
| 106 | 
  | 
    case ORIENTATION: | 
| 107 | 
  | 
      mpiEventContainer.type = mpiORIENTATION; | 
| 108 | 
< | 
      mpiEventContainer.d1 = the_event->evt.ornt.x; // pack orientation coord into d | 
| 109 | 
< | 
      mpiEventContainer.d2 = the_event->evt.ornt.y;  | 
| 110 | 
< | 
      mpiEventContainer.d3 = the_event->evt.ornt.z;    | 
| 108 | 
> | 
      mpiEventContainer.d1 = the_event->evt.ornt.phi; // pack orientation coord into d | 
| 109 | 
> | 
      mpiEventContainer.d2 = the_event->evt.ornt.theta;  | 
| 110 | 
> | 
      mpiEventContainer.d3 = the_event->evt.ornt.psi;    | 
| 111 | 
  | 
      break; | 
| 112 | 
  | 
       | 
| 113 | 
  | 
    case CONSTRAINT: | 
| 115 | 
  | 
      mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d | 
| 116 | 
  | 
      break; | 
| 117 | 
  | 
       | 
| 118 | 
< | 
    case MEMBER: | 
| 119 | 
< | 
      mpiEventContainer.type = mpiMEMBER; | 
| 120 | 
< | 
      mpiEventContainer.i1 = the_event->evt.mbr.a ; // pack member ints into i | 
| 121 | 
< | 
      mpiEventContainer.i2 = the_event->evt.mbr.b;  | 
| 122 | 
< | 
      mpiEventContainer.i3 = the_event->evt.mbr.c;    | 
| 123 | 
< | 
      mpiEventContainer.i4 = the_event->evt.mbr.d;    | 
| 118 | 
> | 
    case MEMBERS: | 
| 119 | 
> | 
      mpiEventContainer.type = mpiMEMBERS; | 
| 120 | 
> | 
      mpiEventContainer.i1 = the_event->evt.mbrs.nMembers ; // pack member ints into i | 
| 121 | 
  | 
      break; | 
| 122 | 
  | 
       | 
| 123 | 
  | 
    case ASSIGNMENT: | 
| 160 | 
  | 
 | 
| 161 | 
  | 
    MPI_Bcast(&mpiEventContainer,1,mpiBASSEventType,0,MPI_COMM_WORLD); | 
| 162 | 
  | 
 | 
| 163 | 
+ | 
    if (the_event->event_type == MEMBERS) { | 
| 164 | 
+ | 
 | 
| 165 | 
+ | 
      // For member lists, we need a separate broadcast to spew out the | 
| 166 | 
+ | 
      // membership array: | 
| 167 | 
+ | 
      MPI_Bcast(the_event->evt.mbrs.memberList, the_event->evt.mbrs.nMembers,  | 
| 168 | 
+ | 
                MPI_INT, 0, MPI_COMM_WORLD); | 
| 169 | 
+ | 
       | 
| 170 | 
+ | 
    }    | 
| 171 | 
+ | 
 | 
| 172 | 
  | 
    sprintf( checkPointMsg,  | 
| 173 | 
  | 
             "BASS Event broadcast successful" ); | 
| 174 | 
+ | 
 | 
| 175 | 
  | 
    MPIcheckPoint(); | 
| 176 | 
  | 
  } | 
| 177 | 
  | 
} | 
| 193 | 
  | 
          "  COMPONENT   %d\n" | 
| 194 | 
  | 
          "  POSITION    %d\n" | 
| 195 | 
  | 
          "  ASSIGNMENT  %d\n" | 
| 196 | 
< | 
          "  MEMBER      %d\n" | 
| 196 | 
> | 
          "  MEMBERS     %d\n" | 
| 197 | 
  | 
          "  CONSTRAINT  %d\n" | 
| 198 | 
  | 
          "  ORIENTATION %d\n" | 
| 199 | 
  | 
          "  ZCONSTRAINT %d\n" | 
| 202 | 
  | 
          "\n", | 
| 203 | 
  | 
          worldRank, | 
| 204 | 
  | 
          MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT,  | 
| 205 | 
< | 
          POSITION, ASSIGNMENT, MEMBER, CONSTRAINT, ORIENTATION, | 
| 205 | 
> | 
          POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, | 
| 206 | 
  | 
          ZCONSTRAINT, RIGIDBODY, BLOCK_END ); | 
| 207 | 
  | 
#endif | 
| 208 | 
  | 
 | 
| 280 | 
  | 
 | 
| 281 | 
  | 
  case mpiORIENTATION: | 
| 282 | 
  | 
    the_event.event_type = ORIENTATION; | 
| 283 | 
< | 
    the_event.evt.ornt.x = mpiEventContainer.d1;  | 
| 284 | 
< | 
    the_event.evt.ornt.y = mpiEventContainer.d2;  | 
| 285 | 
< | 
    the_event.evt.ornt.z = mpiEventContainer.d3;    | 
| 283 | 
> | 
    the_event.evt.ornt.phi   = mpiEventContainer.d1;  | 
| 284 | 
> | 
    the_event.evt.ornt.theta = mpiEventContainer.d2;  | 
| 285 | 
> | 
    the_event.evt.ornt.psi   = mpiEventContainer.d3;    | 
| 286 | 
  | 
    break; | 
| 287 | 
  | 
       | 
| 288 | 
  | 
  case mpiCONSTRAINT: | 
| 290 | 
  | 
    the_event.evt.cnstr = mpiEventContainer.d1;  | 
| 291 | 
  | 
    break; | 
| 292 | 
  | 
     | 
| 293 | 
< | 
  case mpiMEMBER: | 
| 294 | 
< | 
    the_event.event_type = MEMBER; | 
| 295 | 
< | 
    the_event.evt.mbr.a = mpiEventContainer.i1;  | 
| 296 | 
< | 
    the_event.evt.mbr.b = mpiEventContainer.i2;  | 
| 297 | 
< | 
    the_event.evt.mbr.c = mpiEventContainer.i3;    | 
| 298 | 
< | 
    the_event.evt.mbr.d = mpiEventContainer.i4;    | 
| 293 | 
> | 
  case mpiMEMBERS: | 
| 294 | 
> | 
    the_event.event_type = MEMBERS; | 
| 295 | 
> | 
    the_event.evt.mbrs.nMembers = mpiEventContainer.i1;  | 
| 296 | 
> | 
 | 
| 297 | 
> | 
    the_event.evt.mbrs.memberList = (int *) calloc(the_event.evt.mbrs.nMembers, | 
| 298 | 
> | 
                                                    sizeof(int)); | 
| 299 | 
> | 
     | 
| 300 | 
> | 
    // Grab the member list since we have a number of members: | 
| 301 | 
> | 
    MPI_Bcast(the_event.evt.mbrs.memberList, the_event.evt.mbrs.nMembers,  | 
| 302 | 
> | 
              MPI_INT, 0, MPI_COMM_WORLD); | 
| 303 | 
> | 
     | 
| 304 | 
  | 
    break; | 
| 305 | 
  | 
     | 
| 306 | 
  | 
  case mpiASSIGNMENT_s: |