| 35 |
|
* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 222 |
|
|
| 223 |
|
if (fileSize < 0) { |
| 224 |
|
fin.close(); |
| 225 |
< |
delete fbuf; |
| 225 |
> |
delete[] fbuf; |
| 226 |
|
|
| 227 |
|
return false; |
| 228 |
|
} |
| 234 |
|
//close the file and delete the buffer |
| 235 |
|
fin.close(); |
| 236 |
|
internalStringBuf_.str(fbuf); |
| 237 |
< |
delete [] fbuf; |
| 237 |
> |
delete[] fbuf; |
| 238 |
|
}else{ |
| 239 |
|
fileSize = FileNotExists; |
| 240 |
|
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
| 256 |
|
else |
| 257 |
|
diffFilename = 1; |
| 258 |
|
|
| 259 |
< |
delete masterFilename; |
| 259 |
> |
delete[] masterFilename; |
| 260 |
|
|
| 261 |
|
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
| 262 |
|
|