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 |
|
|