35 |
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* |
36 |
|
* [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). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
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 |
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*/ |
42 |
|
|
43 |
|
/** |
44 |
< |
* @file basic_ifstrstream.cpp |
44 |
> |
* @file ifstrstream.cpp |
45 |
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* @author Teng Lin |
46 |
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* @date 10/14/2004 |
47 |
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* @version 1.0 |
72 |
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|
73 |
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/** |
74 |
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* 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 |
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*/ |
79 |
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#ifdef IS_MPI |
80 |
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ifstrstream::ifstrstream(const char* filename, std::ios_base::openmode mode, bool checkFilename) |
103 |
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* Opens a file and associats a buffer with the specified file to perform the i/o operations |
104 |
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* (single mode). Master reads a file and brocasts its content to the other slave nodes. After |
105 |
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* 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 |
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void ifstrstream::open(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
111 |
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|
160 |
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* Internal function used to open the file |
161 |
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* @return true if succesfully opens a file (single mode) or gets the file content (parallel mode) |
162 |
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* 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 |
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|
169 |
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bool ifstrstream::internalOpen(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
170 |
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|
171 |
|
#ifdef IS_MPI |
172 |
< |
int commStatus; |
172 |
> |
//int commStatus; |
173 |
|
long fileSize; |
174 |
|
char* fbuf; |
175 |
|
int filenameLen; |
178 |
|
int myRank; |
179 |
|
int masterNode; |
180 |
|
|
181 |
< |
commStatus = MPI_Comm_rank(MPI_COMM_WORLD, &myRank); |
181 |
> |
myRank = MPI::COMM_WORLD.Get_rank(); |
182 |
|
masterNode = 0; |
183 |
|
|
184 |
|
if (myRank == masterNode) { |
187 |
|
|
188 |
|
//check the filename is the same |
189 |
|
filenameLen = strlen(filename); |
190 |
< |
commStatus = MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
191 |
< |
commStatus = MPI_Bcast((void*)filename, filenameLen, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
190 |
> |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
191 |
> |
MPI::COMM_WORLD.Bcast((void*)filename, filenameLen, MPI::CHAR, |
192 |
> |
masterNode); |
193 |
|
|
194 |
|
diffFilename = 0; |
195 |
< |
commStatus = MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); |
196 |
< |
|
195 |
> |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
196 |
> |
|
197 |
|
//if file names are different just return false |
198 |
|
if (error > 0) |
199 |
|
return false; |
217 |
|
if (fin.fail()) |
218 |
|
fileSize = FileIOError; |
219 |
|
|
220 |
< |
//brocasting the file size |
221 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
220 |
> |
//broadcast the file size |
221 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
222 |
|
|
223 |
|
if (fileSize < 0) { |
224 |
|
fin.close(); |
225 |
< |
delete fbuf; |
225 |
> |
delete[] fbuf; |
226 |
|
|
227 |
|
return false; |
228 |
|
} |
229 |
|
|
230 |
< |
// make a c-style std::string and brocasting it |
230 |
> |
// make a c-style std::string and broadcast it |
231 |
|
fbuf[fileSize] = '\0'; |
232 |
< |
commStatus = MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
232 |
> |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
233 |
|
|
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 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
240 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
241 |
|
return false; |
242 |
|
} |
243 |
|
|
245 |
|
|
246 |
|
//check file name |
247 |
|
if (checkFilename) { |
248 |
< |
commStatus = MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
248 |
> |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
249 |
|
|
250 |
|
char * masterFilename = new char[filenameLen]; |
251 |
< |
commStatus = MPI_Bcast(masterFilename, filenameLen, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
251 |
> |
MPI::COMM_WORLD.Bcast(masterFilename, filenameLen, MPI::CHAR, |
252 |
> |
masterNode); |
253 |
|
|
254 |
|
if( strcmp(masterFilename, filename) == 0) |
255 |
|
diffFilename = 0; |
256 |
|
else |
257 |
|
diffFilename = 1; |
258 |
|
|
259 |
< |
delete masterFilename; |
259 |
> |
delete[] masterFilename; |
260 |
|
|
261 |
< |
commStatus = MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); |
261 |
> |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
262 |
|
|
263 |
|
if (error > 0) |
264 |
|
return false; |
265 |
|
} |
266 |
|
//get file size |
267 |
< |
commStatus = MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
267 |
> |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
268 |
|
|
269 |
|
if (fileSize >= 0 ) { |
270 |
|
fbuf = new char[fileSize+1]; |
271 |
|
assert(fbuf); |
272 |
|
|
273 |
|
//receive file content |
274 |
< |
commStatus = MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
274 |
> |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
275 |
|
|
276 |
|
internalStringBuf_.str(fbuf); |
277 |
|
delete [] fbuf; |