| 122 |
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|
| 123 |
|
|
| 124 |
|
void RestReader :: readIdealCrystal(){ |
| 125 |
< |
|
| 125 |
> |
|
| 126 |
|
int i; |
| 127 |
|
unsigned int j; |
| 128 |
< |
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| 128 |
> |
|
| 129 |
|
#ifdef IS_MPI |
| 130 |
|
int done, which_node, which_atom; // loop counter |
| 131 |
|
#endif //is_mpi |
| 260 |
|
simError(); |
| 261 |
|
} |
| 262 |
|
|
| 263 |
+ |
MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
| 264 |
+ |
|
| 265 |
|
for (i=0 ; i < info_->getNGlobalMolecules(); i++) { |
| 266 |
|
int which_node = info_->getMolToProc(i); |
| 267 |
|
|
| 297 |
|
parseIdealLine(read_buffer, integrableObject); |
| 298 |
|
|
| 299 |
|
} |
| 300 |
+ |
|
| 301 |
|
} else { |
| 302 |
|
//molecule belongs to slave nodes |
| 303 |
|
|
| 304 |
|
MPI_Recv(&nCurObj, 1, MPI_INT, which_node, |
| 305 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
| 306 |
|
|
| 307 |
< |
for(j=0; j < nCurObj; j++){ |
| 307 |
> |
for(j = 0; j < nCurObj; j++){ |
| 308 |
|
|
| 309 |
|
eof_test = fgets(read_buffer, sizeof(read_buffer), inIdealFile); |
| 310 |
|
if(eof_test == NULL){ |
| 323 |
|
} |
| 324 |
|
} |
| 325 |
|
} else { |
| 326 |
< |
//actions taken at slave nodes |
| 326 |
> |
//actions taken at slave nodes |
| 327 |
> |
MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
| 328 |
> |
|
| 329 |
|
for (i=0 ; i < info_->getNGlobalMolecules(); i++) { |
| 330 |
< |
int which_node = info_->getMolToProc(i); |
| 331 |
< |
|
| 330 |
> |
int which_node = info_->getMolToProc(i); |
| 331 |
> |
|
| 332 |
|
if(which_node == worldRank){ |
| 333 |
|
//molecule with global index i belongs to this processor |
| 334 |
|
|
| 369 |
|
|
| 370 |
|
char* RestReader::parseIdealLine(char* readLine, StuntDouble* sd){ |
| 371 |
|
|
| 367 |
– |
char *foo; // the pointer to the current string token |
| 368 |
– |
|
| 372 |
|
RealType pos[3]; // position place holders |
| 373 |
|
RealType q[4]; // the quaternions |
| 374 |
|
RealType RfromQ[3][3]; // the rotation matrix |
| 600 |
|
int masterNode = 0; |
| 601 |
|
int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
| 602 |
|
int haveError; |
| 603 |
< |
int index; |
| 603 |
> |
int intObjIndex; |
| 604 |
> |
int intObjIndexTransfer; |
| 605 |
|
|
| 606 |
|
int nCurObj; |
| 607 |
|
RealType angleTranfer; |
| 627 |
|
tempZangs.push_back( atof(read_buffer) ); |
| 628 |
|
eof_test = fgets(read_buffer, sizeof(read_buffer), inAngFile); |
| 629 |
|
} |
| 630 |
< |
|
| 630 |
> |
|
| 631 |
|
// Check to see that the number of integrable objects in the |
| 632 |
|
// intial configuration file is the same as derived from the |
| 633 |
|
// meta-data file. |
| 642 |
|
|
| 643 |
|
// At this point, node 0 has a tempZangs vector completed, and |
| 644 |
|
// everyone else has nada |
| 641 |
– |
index = 0; |
| 645 |
|
|
| 646 |
|
for (i=0 ; i < info_->getNGlobalMolecules(); i++) { |
| 647 |
|
// Get the Node number which has this atom |
| 648 |
|
which_node = info_->getMolToProc(i); |
| 649 |
|
|
| 650 |
< |
if (worldRank == masterNode) { |
| 650 |
> |
if (which_node == masterNode) { |
| 651 |
|
mol = info_->getMoleculeByGlobalIndex(i); |
| 652 |
< |
|
| 652 |
> |
|
| 653 |
|
if(mol == NULL) { |
| 654 |
|
strcpy(painCave.errMsg, "Molecule not found on node 0!"); |
| 655 |
|
haveError = 1; |
| 656 |
|
simError(); |
| 657 |
|
} |
| 658 |
< |
|
| 658 |
> |
|
| 659 |
|
for (integrableObject = mol->beginIntegrableObject(ii); |
| 660 |
|
integrableObject != NULL; |
| 661 |
|
integrableObject = mol->nextIntegrableObject(ii)){ |
| 662 |
< |
|
| 663 |
< |
integrableObject->setZangle(tempZangs[index]); |
| 661 |
< |
index++; |
| 662 |
> |
intObjIndex = integrableObject->getGlobalIndex(); |
| 663 |
> |
integrableObject->setZangle(tempZangs[intObjIndex]); |
| 664 |
|
} |
| 665 |
|
|
| 666 |
|
} else { |
| 667 |
|
// I am MASTER OF THE UNIVERSE, but I don't own this molecule |
| 668 |
< |
|
| 668 |
> |
// listen for the number of integrableObjects in the molecule |
| 669 |
|
MPI_Recv(&nCurObj, 1, MPI_INT, which_node, |
| 670 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
| 671 |
|
|
| 672 |
< |
for(j=0; j < nCurObj; j++){ |
| 673 |
< |
angleTransfer = tempZangs[index]; |
| 672 |
> |
for(j=0; j < nCurObj; j++){ |
| 673 |
> |
// listen for which integrableObject we need to send the value for |
| 674 |
> |
MPI_Recv(&intObjIndexTransfer, 1, MPI_INT, which_node, |
| 675 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
| 676 |
> |
angleTransfer = tempZangs[intObjIndexTransfer]; |
| 677 |
> |
// send the value to the node so it can initialize the object |
| 678 |
|
MPI_Send(&angleTransfer, 1, MPI_REALTYPE, which_node, |
| 679 |
|
TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD); |
| 674 |
– |
index++; |
| 680 |
|
} |
| 676 |
– |
|
| 681 |
|
} |
| 682 |
|
} |
| 683 |
|
} else { |
| 700 |
|
} |
| 701 |
|
|
| 702 |
|
nCurObj = mol->getNIntegrableObjects(); |
| 703 |
< |
|
| 703 |
> |
// send the number of integrableObjects in the molecule |
| 704 |
|
MPI_Send(&nCurObj, 1, MPI_INT, 0, |
| 705 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 706 |
|
|
| 707 |
|
for (integrableObject = mol->beginIntegrableObject(ii); |
| 708 |
|
integrableObject != NULL; |
| 709 |
|
integrableObject = mol->nextIntegrableObject(ii)){ |
| 710 |
< |
|
| 710 |
> |
intObjIndexTransfer = integrableObject->getGlobalIndex(); |
| 711 |
> |
// send the global index of the integrableObject |
| 712 |
> |
MPI_Send(&intObjIndexTransfer, 1, MPI_INT, 0, |
| 713 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 714 |
> |
// listen for the value we want to set locally |
| 715 |
|
MPI_Recv(&angleTransfer, 1, MPI_REALTYPE, 0, |
| 716 |
|
TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD, &istatus); |
| 717 |
|
|
