| 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 |
|
*/ |
| 42 |
|
|
| 43 |
|
/** |
| 44 |
< |
* @file basic_ifstrstream.cpp |
| 44 |
> |
* @file ifstrstream.cpp |
| 45 |
|
* @author Teng Lin |
| 46 |
|
* @date 10/14/2004 |
| 47 |
|
* @version 1.0 |
| 72 |
|
|
| 73 |
|
/** |
| 74 |
|
* Explicit constructor |
| 75 |
< |
* @filename String containing the name of the file to be opened |
| 76 |
< |
* @mode Flags describing the requested i/o mode for the file, default value is ios_base::in |
| 77 |
< |
* @checkFilename Flags indicating checking the file name in parallel |
| 75 |
> |
* @param filename String containing the name of the file to be opened |
| 76 |
> |
* @param mode Flags describing the requested i/o mode for the file, default value is ios_base::in |
| 77 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 78 |
|
*/ |
| 79 |
|
#ifdef IS_MPI |
| 80 |
|
ifstrstream::ifstrstream(const char* filename, std::ios_base::openmode mode, bool checkFilename) |
| 103 |
|
* Opens a file and associats a buffer with the specified file to perform the i/o operations |
| 104 |
|
* (single mode). Master reads a file and brocasts its content to the other slave nodes. After |
| 105 |
|
* brocasting, every nodes fall back to stringstream (parallel mode). |
| 106 |
< |
* @filename String containing the name of the file to be opened |
| 107 |
< |
* @mode Flags describing the requested i/o mode for the file |
| 108 |
< |
* @checkFilename Flags indicating checking the file name in parallel |
| 106 |
> |
* @param filename String containing the name of the file to be opened |
| 107 |
> |
* @param mode Flags describing the requested i/o mode for the file |
| 108 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 109 |
|
*/ |
| 110 |
|
void ifstrstream::open(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
| 111 |
|
|
| 160 |
|
* Internal function used to open the file |
| 161 |
|
* @return true if succesfully opens a file (single mode) or gets the file content (parallel mode) |
| 162 |
|
* otherwise return false |
| 163 |
< |
* @filename String containing the name of the file to be opened |
| 164 |
< |
* @mode Flags describing the requested i/o mode for the file |
| 163 |
> |
* @param filename String containing the name of the file to be opened |
| 164 |
> |
* @param mode Flags describing the requested i/o mode for the file |
| 165 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 166 |
|
* @todo use try - catch syntax to make the program more readable |
| 167 |
|
*/ |
| 168 |
|
|
| 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 |
|
|