43 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
44 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
45 |
|
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
46 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
46 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
47 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
48 |
|
*/ |
49 |
|
|
50 |
|
#ifndef PARALLEL_COMMUNICATOR_HPP |
124 |
|
rowIndex_ = myRank / nColumns; |
125 |
|
columnIndex_ = myRank % nColumns; |
126 |
|
|
126 |
– |
cerr << "rowIndex = " << rowIndex_ << "\t colIndex = " << columnIndex_ << "\n"; |
127 |
|
switch(D) { |
128 |
|
case Row : |
129 |
|
myComm = MPI::COMM_WORLD.Split(rowIndex_, 0); |