| 41 |
|
* |
| 42 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 43 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 44 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 44 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 45 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 46 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 47 |
|
*/ |
| 88 |
|
static int Length() {return 3;} |
| 89 |
|
}; |
| 90 |
|
|
| 91 |
< |
template<class T, unsigned int Row, unsigned int Col> |
| 92 |
< |
class MPITraits< RectMatrix<T, Row, Col> > { |
| 91 |
> |
template<class T, unsigned int R, unsigned int C> |
| 92 |
> |
class MPITraits< RectMatrix<T, R, C> > { |
| 93 |
|
public: |
| 94 |
|
static MPI::Datatype Type() { return MPITraits<T>::Type(); } |
| 95 |
< |
static int Length() {return Row * Col;} |
| 95 |
> |
static int Length() {return R * C;} |
| 96 |
|
}; |
| 97 |
|
|
| 98 |
|
template<class T> |
| 119 |
|
if (nProc % i == 0) nColumns = i; |
| 120 |
|
} |
| 121 |
|
|
| 122 |
< |
int nRows = nProc / nColumns; |
| 122 |
> |
// int nRows = nProc / nColumns; |
| 123 |
|
rowIndex_ = myRank / nColumns; |
| 124 |
|
columnIndex_ = myRank % nColumns; |
| 125 |
|
|