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root/OpenMD/trunk/src/io/RestWriter.cpp
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Comparing trunk/src/io/RestWriter.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1938 by gezelter, Thu Oct 31 15:32:17 2013 UTC

# Line 35 | Line 35
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).          
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   */
42  
43 + #ifdef IS_MPI
44 + #include <mpi.h>
45 + #endif
46  
47   #include <string>
48   #include <sstream>
# Line 47 | Line 51
51   #include "io/RestWriter.hpp"
52   #include "utils/simError.h"
53   #include "brains/SnapshotManager.hpp"
50 – #ifdef IS_MPI
51 – #include <mpi.h>
52 – #endif
54  
55   namespace OpenMD {
56    RestWriter::RestWriter(SimInfo* info, const std::string& filename,
# Line 77 | Line 78 | namespace OpenMD {
78  
79  
80   #ifdef IS_MPI
81 <    MPI_Status istatus;
81 >    MPI::Status istatus;
82   #endif
83      
84   #ifndef IS_MPI
# Line 147 | Line 148 | namespace OpenMD {
148        (*output_) << "#time\t";
149        (*output_) << buffer;
150        
151 <      int nProc;
151 <      MPI_Comm_size(MPI_COMM_WORLD, &nProc);
151 >      int nProc = MPI::COMM_WORLD.Get_size();
152        for (int i = 1; i < nProc; ++i) {
153          
154          // receive the length of the string buffer that was
155          // prepared by processor i
156          
157          int recvLength;
158 <        MPI_Recv(&recvLength, 1, MPI_INT, i, 0, MPI_COMM_WORLD, &istatus);
158 >        MPI::COMM_WORLD.Recv(&recvLength, 1, MPI::INT, i, 0, istatus);
159          char* recvBuffer = new char[recvLength];
160          if (recvBuffer == NULL) {
161          } else {
162 <          MPI_Recv(recvBuffer, recvLength, MPI_CHAR, i, 0, MPI_COMM_WORLD,
163 <                   &istatus);
162 >          MPI::COMM_WORLD.Recv(recvBuffer, recvLength, MPI::CHAR, i, 0,
163 >                               istatus);
164            (*output_) << recvBuffer;
165            delete [] recvBuffer;
166          }
# Line 168 | Line 168 | namespace OpenMD {
168        (*output_).flush();
169      } else {
170        int sendBufferLength = buffer.size() + 1;
171 <      MPI_Send(&sendBufferLength, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
172 <      MPI_Send((void *)buffer.c_str(), sendBufferLength, MPI_CHAR, masterNode,
173 <               0, MPI_COMM_WORLD);
171 >      MPI::COMM_WORLD.Send(&sendBufferLength, 1, MPI::INT, masterNode, 0);
172 >      MPI::COMM_WORLD.Send((void *)buffer.c_str(), sendBufferLength, MPI::CHAR,
173 >                           masterNode, 0);
174      }
175      
176   #endif // is_mpi    
# Line 180 | Line 180 | namespace OpenMD {
180    void RestWriter::writeRest(std::vector<std::map<int, Restraint::RealPair> > restInfo) {
181      
182   #ifdef IS_MPI
183 <    MPI_Status istatus;
183 >    MPI::Status istatus;
184   #endif
185      
186   #ifndef IS_MPI
# Line 224 | Line 224 | namespace OpenMD {
224        (*output_) << buffer;
225        
226        int nProc;
227 <      MPI_Comm_size(MPI_COMM_WORLD, &nProc);
227 >      nProc = MPI::COMM_WORLD.Get_size();
228        for (int i = 1; i < nProc; ++i) {
229          
230          // receive the length of the string buffer that was
231          // prepared by processor i
232          
233          int recvLength;
234 <        MPI_Recv(&recvLength, 1, MPI_INT, i, 0, MPI_COMM_WORLD, &istatus);
234 >        MPI::COMM_WORLD.Recv(&recvLength, 1, MPI::INT, i, 0, istatus);
235          char* recvBuffer = new char[recvLength];
236          if (recvBuffer == NULL) {
237          } else {
238 <          MPI_Recv(recvBuffer, recvLength, MPI_CHAR, i, 0, MPI_COMM_WORLD,
239 <                   &istatus);
238 >          MPI::COMM_WORLD.Recv(recvBuffer, recvLength, MPI::CHAR, i, 0,
239 >                               istatus);
240            (*output_) << recvBuffer;
241            
242            delete [] recvBuffer;
# Line 245 | Line 245 | namespace OpenMD {
245        (*output_).flush();
246      } else {
247        int sendBufferLength = buffer.size() + 1;
248 <      MPI_Send(&sendBufferLength, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
249 <      MPI_Send((void *)buffer.c_str(), sendBufferLength, MPI_CHAR, masterNode,
250 <               0, MPI_COMM_WORLD);
248 >      MPI::COMM_WORLD.Send(&sendBufferLength, 1, MPI::INT, masterNode, 0);
249 >      MPI::COMM_WORLD.Send((void *)buffer.c_str(), sendBufferLength,
250 >                           MPI::CHAR, masterNode, 0);
251      }
252   #endif // is_mpi
253    }

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