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 ATOM: |
70 |
|
mpiEventContainer.type = mpiATOM; |
71 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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 |
116 |
< |
mpiEventContainer.i2 = the_event->evt.mbr.b; |
117 |
< |
mpiEventContainer.i3 = the_event->evt.mbr.c; |
118 |
< |
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" |
200 |
+ |
" RIGIDBODY %d\n" |
201 |
|
" BLOCK_END %d\n" |
202 |
|
"\n", |
203 |
|
worldRank, |
204 |
|
MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
205 |
< |
POSITION, ASSIGNMENT, MEMBER, CONSTRAINT, ORIENTATION, |
206 |
< |
ZCONSTRAINT, BLOCK_END ); |
205 |
> |
POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, |
206 |
> |
ZCONSTRAINT, RIGIDBODY, BLOCK_END ); |
207 |
|
#endif |
208 |
|
|
209 |
|
MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); |
234 |
|
the_event.event_type = MOLECULE; |
235 |
|
the_event.evt.blk_index = mpiEventContainer.i1; |
236 |
|
break; |
237 |
+ |
|
238 |
+ |
case mpiRIGIDBODY: |
239 |
+ |
the_event.event_type = RIGIDBODY; |
240 |
+ |
the_event.evt.blk_index = mpiEventContainer.i1; |
241 |
+ |
break; |
242 |
|
|
243 |
|
case mpiATOM: |
244 |
|
the_event.event_type = ATOM; |
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: |