| 477 |
|
// Init the atomStruct mpi type |
| 478 |
|
|
| 479 |
|
atomStruct atomProto; // mpiPrototype |
| 480 |
< |
int atomBC[3] = {15,11,4}; // block counts |
| 480 |
> |
int atomBC[3] = {15,12,5}; // block counts |
| 481 |
|
MPI_Aint atomDspls[3]; // displacements |
| 482 |
|
MPI_Datatype atomMbrTypes[3]; // member mpi types |
| 483 |
|
|
| 730 |
|
currentAtomType = headAtomType->next; //skip the first element who is a place holder. |
| 731 |
|
while( currentAtomType != NULL ){ |
| 732 |
|
currentAtomType->duplicate( atomInfo ); |
| 733 |
– |
|
| 734 |
– |
|
| 733 |
|
|
| 734 |
|
sendFrcStruct( &atomInfo, mpiAtomStructType ); |
| 735 |
|
|
| 748 |
|
else{ |
| 749 |
|
|
| 750 |
|
// listen for node 0 to send out the force params |
| 751 |
< |
|
| 751 |
> |
|
| 752 |
|
MPIcheckPoint(); |
| 753 |
|
|
| 754 |
|
headAtomType = new LinkedAtomType; |
| 755 |
|
recieveFrcStruct( &atomInfo, mpiAtomStructType ); |
| 756 |
|
|
| 757 |
|
while( !atomInfo.last ){ |
| 760 |
– |
|
| 761 |
– |
|
| 758 |
|
|
| 759 |
|
headAtomType->add( atomInfo ); |
| 760 |
|
|
