36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
39 |
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* [4] Vardeman & Gezelter, in progress (2009). |
39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
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*/ |
42 |
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|
43 |
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/** |
168 |
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bool ifstrstream::internalOpen(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
169 |
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|
170 |
|
#ifdef IS_MPI |
171 |
< |
int commStatus; |
171 |
> |
//int commStatus; |
172 |
|
long fileSize; |
173 |
|
char* fbuf; |
174 |
|
int filenameLen; |
177 |
|
int myRank; |
178 |
|
int masterNode; |
179 |
|
|
180 |
< |
commStatus = MPI_Comm_rank(MPI_COMM_WORLD, &myRank); |
180 |
> |
myRank = MPI::COMM_WORLD.Get_rank(); |
181 |
|
masterNode = 0; |
182 |
|
|
183 |
|
if (myRank == masterNode) { |
186 |
|
|
187 |
|
//check the filename is the same |
188 |
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filenameLen = strlen(filename); |
189 |
< |
commStatus = MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
190 |
< |
commStatus = MPI_Bcast((void*)filename, filenameLen, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
189 |
> |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
190 |
> |
MPI::COMM_WORLD.Bcast((void*)filename, filenameLen, MPI::CHAR, |
191 |
> |
masterNode); |
192 |
|
|
193 |
|
diffFilename = 0; |
194 |
< |
commStatus = MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); |
195 |
< |
|
194 |
> |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
195 |
> |
|
196 |
|
//if file names are different just return false |
197 |
|
if (error > 0) |
198 |
|
return false; |
216 |
|
if (fin.fail()) |
217 |
|
fileSize = FileIOError; |
218 |
|
|
219 |
< |
//brocasting the file size |
220 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
219 |
> |
//broadcast the file size |
220 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
221 |
|
|
222 |
|
if (fileSize < 0) { |
223 |
|
fin.close(); |
226 |
|
return false; |
227 |
|
} |
228 |
|
|
229 |
< |
// make a c-style std::string and brocasting it |
229 |
> |
// make a c-style std::string and broadcast it |
230 |
|
fbuf[fileSize] = '\0'; |
231 |
< |
commStatus = MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
231 |
> |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
232 |
|
|
233 |
|
//close the file and delete the buffer |
234 |
|
fin.close(); |
236 |
|
delete [] fbuf; |
237 |
|
}else{ |
238 |
|
fileSize = FileNotExists; |
239 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
239 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
240 |
|
return false; |
241 |
|
} |
242 |
|
|
244 |
|
|
245 |
|
//check file name |
246 |
|
if (checkFilename) { |
247 |
< |
commStatus = MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
247 |
> |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
248 |
|
|
249 |
|
char * masterFilename = new char[filenameLen]; |
250 |
< |
commStatus = MPI_Bcast(masterFilename, filenameLen, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
250 |
> |
MPI::COMM_WORLD.Bcast(masterFilename, filenameLen, MPI::CHAR, |
251 |
> |
masterNode); |
252 |
|
|
253 |
|
if( strcmp(masterFilename, filename) == 0) |
254 |
|
diffFilename = 0; |
257 |
|
|
258 |
|
delete masterFilename; |
259 |
|
|
260 |
< |
commStatus = MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); |
260 |
> |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
261 |
|
|
262 |
|
if (error > 0) |
263 |
|
return false; |
264 |
|
} |
265 |
|
//get file size |
266 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
266 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
267 |
|
|
268 |
|
if (fileSize >= 0 ) { |
269 |
|
fbuf = new char[fileSize+1]; |
270 |
|
assert(fbuf); |
271 |
|
|
272 |
|
//receive file content |
273 |
< |
commStatus = MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
273 |
> |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
274 |
|
|
275 |
|
internalStringBuf_.str(fbuf); |
276 |
|
delete [] fbuf; |