| 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; |
| 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 |
| 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 |
| 110 |
|
|
| 111 |
|
case ORIENTATION: |
| 112 |
|
mpiEventContainer.type = mpiORIENTATION; |
| 113 |
< |
mpiEventContainer.d1 = the_event->evt.ornt.x; // pack orientation coord into d |
| 114 |
< |
mpiEventContainer.d2 = the_event->evt.ornt.y; |
| 115 |
< |
mpiEventContainer.d3 = the_event->evt.ornt.z; |
| 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: |
| 120 |
|
mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d |
| 121 |
|
break; |
| 122 |
|
|
| 123 |
< |
case MEMBER: |
| 124 |
< |
mpiEventContainer.type = mpiMEMBER; |
| 125 |
< |
mpiEventContainer.i1 = the_event->evt.mbr.a ; // pack member ints into i |
| 111 |
< |
mpiEventContainer.i2 = the_event->evt.mbr.b; |
| 112 |
< |
mpiEventContainer.i3 = the_event->evt.mbr.c; |
| 113 |
< |
mpiEventContainer.i4 = the_event->evt.mbr.d; |
| 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: |
| 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 |
|
} |
| 198 |
|
" COMPONENT %d\n" |
| 199 |
|
" POSITION %d\n" |
| 200 |
|
" ASSIGNMENT %d\n" |
| 201 |
< |
" MEMBER %d\n" |
| 201 |
> |
" MEMBERS %d\n" |
| 202 |
|
" CONSTRAINT %d\n" |
| 203 |
|
" ORIENTATION %d\n" |
| 204 |
< |
" START_INDEX %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, MEMBER, CONSTRAINT, ORIENTATION, |
| 212 |
< |
START_INDEX, BLOCK_END ); |
| 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); |
| 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; |
| 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; |
| 291 |
|
|
| 292 |
|
case mpiORIENTATION: |
| 293 |
|
the_event.event_type = ORIENTATION; |
| 294 |
< |
the_event.evt.ornt.x = mpiEventContainer.d1; |
| 295 |
< |
the_event.evt.ornt.y = mpiEventContainer.d2; |
| 296 |
< |
the_event.evt.ornt.z = mpiEventContainer.d3; |
| 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: |
| 301 |
|
the_event.evt.cnstr = mpiEventContainer.d1; |
| 302 |
|
break; |
| 303 |
|
|
| 304 |
< |
case mpiMEMBER: |
| 305 |
< |
the_event.event_type = MEMBER; |
| 306 |
< |
the_event.evt.mbr.a = mpiEventContainer.i1; |
| 307 |
< |
the_event.evt.mbr.b = mpiEventContainer.i2; |
| 308 |
< |
the_event.evt.mbr.c = mpiEventContainer.i3; |
| 309 |
< |
the_event.evt.mbr.d = mpiEventContainer.i4; |
| 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: |