| 229 |
|
simError(); |
| 230 |
|
} |
| 231 |
|
|
| 232 |
< |
for (i=0 ; i < mpiSim->getTotNmol(); i++) { |
| 232 |
> |
for (i=0 ; i < mpiSim->getNMolGlobal(); i++) { |
| 233 |
|
which_node = MolToProcMap[i]; |
| 234 |
|
if(which_node == 0){ |
| 235 |
|
//molecules belong to master node |
| 308 |
|
simError(); |
| 309 |
|
} |
| 310 |
|
|
| 311 |
< |
for (i=0 ; i < mpiSim->getTotNmol(); i++) { |
| 311 |
> |
for (i=0 ; i < mpiSim->getNMolGlobal(); i++) { |
| 312 |
|
which_node = MolToProcMap[i]; |
| 313 |
|
|
| 314 |
|
if(which_node == worldRank){ |
| 518 |
|
|
| 519 |
|
qSqr = (q[0] * q[0]) + (q[1] * q[1]) + (q[2] * q[2]) + (q[3] * q[3]); |
| 520 |
|
|
| 521 |
+ |
if (fabs(qSqr) < 1e-6) { |
| 522 |
+ |
sprintf(painCave.errMsg, |
| 523 |
+ |
"initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2 ~ 0).\n"); |
| 524 |
+ |
return strdup(painCave.errMsg); |
| 525 |
+ |
} |
| 526 |
+ |
|
| 527 |
|
qLength = sqrt( qSqr ); |
| 528 |
|
q[0] = q[0] / qLength; |
| 529 |
|
q[1] = q[1] / qLength; |
| 655 |
|
int j, myStatus; |
| 656 |
|
|
| 657 |
|
myStatus = 0; |
| 658 |
< |
for (j = 0; j < mpiSim->getNprocessors(); j++) { |
| 658 |
> |
for (j = 0; j < mpiSim->getNProcessors(); j++) { |
| 659 |
|
MPI_Send( &myStatus, 1, MPI_INT, j, |
| 660 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 661 |
|
} |
