| 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 |
| 48 |
|
*/ |
| 49 |
|
|
| 50 |
– |
#include "io/ifstrstream.hpp" |
| 51 |
– |
|
| 50 |
|
#ifdef IS_MPI |
| 51 |
|
#include <mpi.h> |
| 52 |
|
#endif |
| 53 |
|
|
| 54 |
+ |
#include "io/ifstrstream.hpp" |
| 55 |
+ |
|
| 56 |
|
namespace OpenMD { |
| 57 |
|
|
| 58 |
|
/** Constructs an object of class ifstream. */ |
| 59 |
|
#ifdef IS_MPI |
| 60 |
|
ifstrstream::ifstrstream() |
| 61 |
|
: std::basic_istream<char, std::char_traits<char> >(0), |
| 62 |
< |
internalStringBuf_(), isRead(false) { |
| 62 |
> |
internalStringBuf_(), isRead(false) { |
| 63 |
|
this->init(&internalStringBuf_); |
| 64 |
|
} |
| 65 |
|
#else |
| 66 |
|
ifstrstream::ifstrstream() |
| 67 |
|
: std::basic_istream<char, std::char_traits<char> >(0), |
| 68 |
< |
internalFileBuf_(), isRead(false) { |
| 68 |
> |
internalFileBuf_(), isRead(false) { |
| 69 |
|
this->init(&internalFileBuf_); |
| 70 |
|
} |
| 71 |
|
#endif |
| 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, |
| 77 |
> |
* default value is ios_base::in |
| 78 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 79 |
|
*/ |
| 80 |
|
#ifdef IS_MPI |
| 81 |
|
ifstrstream::ifstrstream(const char* filename, std::ios_base::openmode mode, bool checkFilename) |
| 82 |
|
: std::basic_istream<char, std::char_traits<char> >(0), |
| 83 |
< |
internalStringBuf_(), isRead(false) { |
| 83 |
> |
internalStringBuf_(), isRead(false) { |
| 84 |
|
this->init(&internalStringBuf_); |
| 85 |
|
isRead = internalOpen(filename, mode | std::ios_base::in, checkFilename); |
| 86 |
|
} |
| 87 |
|
#else |
| 88 |
|
ifstrstream::ifstrstream(const char* filename, std::ios_base::openmode mode, bool checkFilename) |
| 89 |
|
: std::basic_istream<char, std::char_traits<char> >(0), |
| 90 |
< |
internalFileBuf_(), isRead(false) { |
| 90 |
> |
internalFileBuf_(), isRead(false) { |
| 91 |
|
|
| 92 |
|
this->init(&internalFileBuf_); |
| 93 |
|
isRead = internalOpen(filename, mode | std::ios_base::in, checkFilename); |
| 94 |
|
} |
| 95 |
|
#endif |
| 96 |
|
/** |
| 97 |
< |
* virtual destructor will close the file(in single mode) and clear the stream buffer |
| 97 |
> |
* virtual destructor will close the file (in single mode) and clear |
| 98 |
> |
* the stream buffer |
| 99 |
|
*/ |
| 100 |
< |
ifstrstream::~ifstrstream(){ |
| 99 |
< |
close(); |
| 100 |
> |
ifstrstream::~ifstrstream(){ close(); |
| 101 |
|
} |
| 102 |
|
|
| 103 |
|
/** |
| 104 |
< |
* Opens a file and associats a buffer with the specified file to perform the i/o operations |
| 105 |
< |
* (single mode). Master reads a file and brocasts its content to the other slave nodes. After |
| 106 |
< |
* brocasting, every nodes fall back to stringstream (parallel mode). |
| 107 |
< |
* @filename String containing the name of the file to be opened |
| 108 |
< |
* @mode Flags describing the requested i/o mode for the file |
| 109 |
< |
* @checkFilename Flags indicating checking the file name in parallel |
| 104 |
> |
* Opens a file and associates a buffer with the specified file to |
| 105 |
> |
* perform the i/o operations (single mode). The master node reads a |
| 106 |
> |
* file and broadcasts its content to the other slave nodes. After |
| 107 |
> |
* broadcasting, all nodes fall back to stringstream (parallel |
| 108 |
> |
* mode). |
| 109 |
> |
* @param filename String containing the name of the file to be opened |
| 110 |
> |
* @param mode Flags describing the requested i/o mode for the file |
| 111 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 112 |
|
*/ |
| 113 |
|
void ifstrstream::open(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
| 114 |
|
|
| 118 |
|
} |
| 119 |
|
|
| 120 |
|
/** |
| 121 |
< |
* Tests if the stream is currently associated with a valid buffer. |
| 122 |
< |
* @return true if a file has successfully been opened (single mode) or the whole file is read |
| 123 |
< |
* and spreaded among all of the processors (parallel mode), otherwise false is returned |
| 121 |
> |
* Tests if the stream is currently associated with a valid buffer. |
| 122 |
> |
* @return true if a file has successfully been opened (single mode) |
| 123 |
> |
* or the whole file has been read and spread among all of the |
| 124 |
> |
* processors (parallel mode), otherwise false is returned |
| 125 |
|
*/ |
| 126 |
|
bool ifstrstream::is_open ( ) { |
| 127 |
|
#ifdef IS_MPI |
| 135 |
|
/** |
| 136 |
|
* In single mode, closes a file. The stream's file buffer is |
| 137 |
|
* released from its association with the currently open file. In |
| 138 |
< |
* parallel mode, clean the |
| 138 |
> |
* parallel mode, cleans up. |
| 139 |
|
*/ |
| 140 |
|
void ifstrstream::close() { |
| 141 |
|
#ifndef IS_MPI |
| 161 |
|
} |
| 162 |
|
|
| 163 |
|
/** |
| 164 |
< |
* Internal function used to open the file |
| 165 |
< |
* @return true if succesfully opens a file (single mode) or gets the file content (parallel mode) |
| 166 |
< |
* otherwise return false |
| 167 |
< |
* @filename String containing the name of the file to be opened |
| 168 |
< |
* @mode Flags describing the requested i/o mode for the file |
| 169 |
< |
* @todo use try - catch syntax to make the program more readable |
| 170 |
< |
*/ |
| 164 |
> |
* Internal function used to open the file |
| 165 |
> |
* @return true if succesfully opens a file (single mode) or gets |
| 166 |
> |
* the file content (parallel mode) otherwise return false |
| 167 |
> |
* @param filename String containing the name of the file to be opened |
| 168 |
> |
* @param mode Flags describing the requested i/o mode for the file |
| 169 |
> |
* @param checkFilename Flags indicating checking the file name in parallel |
| 170 |
> |
* @todo use try - catch syntax to make the program more readable |
| 171 |
> |
*/ |
| 172 |
|
|
| 173 |
|
bool ifstrstream::internalOpen(const char* filename, std::ios_base::openmode mode, bool checkFilename){ |
| 174 |
|
|
| 182 |
|
int myRank; |
| 183 |
|
int masterNode; |
| 184 |
|
|
| 185 |
< |
myRank = MPI::COMM_WORLD.Get_rank(); |
| 185 |
> |
MPI_Comm_rank( MPI_COMM_WORLD, &myRank); |
| 186 |
> |
|
| 187 |
|
masterNode = 0; |
| 188 |
|
|
| 189 |
|
if (myRank == masterNode) { |
| 192 |
|
|
| 193 |
|
//check the filename is the same |
| 194 |
|
filenameLen = strlen(filename); |
| 195 |
< |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
| 196 |
< |
MPI::COMM_WORLD.Bcast((void*)filename, filenameLen, MPI::CHAR, |
| 197 |
< |
masterNode); |
| 195 |
> |
MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 196 |
> |
MPI_Bcast((void*)filename, filenameLen, MPI_CHAR, |
| 197 |
> |
masterNode, MPI_COMM_WORLD); |
| 198 |
|
|
| 199 |
|
diffFilename = 0; |
| 200 |
< |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
| 201 |
< |
|
| 200 |
> |
MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, |
| 201 |
> |
MPI_COMM_WORLD); |
| 202 |
> |
|
| 203 |
|
//if file names are different just return false |
| 204 |
|
if (error > 0) |
| 205 |
|
return false; |
| 224 |
|
fileSize = FileIOError; |
| 225 |
|
|
| 226 |
|
//broadcast the file size |
| 227 |
< |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
| 227 |
> |
MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
| 228 |
|
|
| 229 |
|
if (fileSize < 0) { |
| 230 |
|
fin.close(); |
| 231 |
< |
delete fbuf; |
| 231 |
> |
delete[] fbuf; |
| 232 |
|
|
| 233 |
|
return false; |
| 234 |
|
} |
| 235 |
|
|
| 236 |
|
// make a c-style std::string and broadcast it |
| 237 |
|
fbuf[fileSize] = '\0'; |
| 238 |
< |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
| 238 |
> |
MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
| 239 |
|
|
| 240 |
|
//close the file and delete the buffer |
| 241 |
|
fin.close(); |
| 242 |
|
internalStringBuf_.str(fbuf); |
| 243 |
< |
delete [] fbuf; |
| 243 |
> |
delete[] fbuf; |
| 244 |
|
}else{ |
| 245 |
|
fileSize = FileNotExists; |
| 246 |
< |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
| 246 |
> |
MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
| 247 |
|
return false; |
| 248 |
|
} |
| 249 |
|
|
| 251 |
|
|
| 252 |
|
//check file name |
| 253 |
|
if (checkFilename) { |
| 254 |
< |
MPI::COMM_WORLD.Bcast(&filenameLen, 1, MPI::INT, masterNode); |
| 254 |
> |
MPI_Bcast(&filenameLen, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 255 |
|
|
| 256 |
|
char * masterFilename = new char[filenameLen]; |
| 257 |
< |
MPI::COMM_WORLD.Bcast(masterFilename, filenameLen, MPI::CHAR, |
| 258 |
< |
masterNode); |
| 257 |
> |
MPI_Bcast(masterFilename, filenameLen, MPI_CHAR, |
| 258 |
> |
masterNode, MPI_COMM_WORLD); |
| 259 |
|
|
| 260 |
|
if( strcmp(masterFilename, filename) == 0) |
| 261 |
|
diffFilename = 0; |
| 262 |
|
else |
| 263 |
|
diffFilename = 1; |
| 264 |
|
|
| 265 |
< |
delete masterFilename; |
| 265 |
> |
delete[] masterFilename; |
| 266 |
|
|
| 267 |
< |
MPI::COMM_WORLD.Allreduce(&diffFilename, &error, 1, MPI::INT, MPI::SUM); |
| 267 |
> |
MPI_Allreduce(&diffFilename, &error, 1, MPI_INT, MPI_SUM, |
| 268 |
> |
MPI_COMM_WORLD); |
| 269 |
|
|
| 270 |
|
if (error > 0) |
| 271 |
|
return false; |
| 272 |
|
} |
| 273 |
|
//get file size |
| 274 |
< |
MPI::COMM_WORLD.Bcast(&fileSize, 1, MPI::LONG, masterNode); |
| 274 |
> |
MPI_Bcast(&fileSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD); |
| 275 |
|
|
| 276 |
|
if (fileSize >= 0 ) { |
| 277 |
|
fbuf = new char[fileSize+1]; |
| 278 |
|
assert(fbuf); |
| 279 |
|
|
| 280 |
|
//receive file content |
| 281 |
< |
MPI::COMM_WORLD.Bcast(fbuf, fileSize + 1, MPI::CHAR, masterNode); |
| 281 |
> |
MPI_Bcast(fbuf, fileSize + 1, MPI_CHAR, masterNode, MPI_COMM_WORLD); |
| 282 |
|
|
| 283 |
|
internalStringBuf_.str(fbuf); |
| 284 |
|
delete [] fbuf; |