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root/group/branches/no-template-branch/OOPSE/libmdtools/ZConsWriter.cpp
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Comparing trunk/OOPSE/libmdtools/ZConsWriter.cpp (file contents):
Revision 701 by tim, Wed Aug 20 14:34:04 2003 UTC vs.
Revision 830 by gezelter, Tue Oct 28 16:20:28 2003 UTC

# Line 18 | Line 18 | ZConsWriter::ZConsWriter(const char* filename, vector<
18    
19     if(!output){
20       sprintf( painCave.errMsg,
21 <              "Could not open \"s\" for z constrain output \n",
21 >              "Could not open %s for z constrain output \n",
22           filename);
23       painCave.isFatal = 1;
24       simError();
25     }
26     output << "#number of z constrain molecules" << endl;
27     output << "#global Index of molecule\tzPos" << endl;
28 <   output << "every frame will contain below data" <<endl;
28 >   output << "#every frame will contain below data" <<endl;
29     output << "#time(fs)" << endl;
30     output << "#number of fixed z-constrain molecules" << endl;
31     output << "#global Index of molecule\tzconstrain force\tcurrentZPos" << endl;
# Line 86 | Line 86 | void ZConsWriter::writeFZ(double time, int num, int* i
86      int *MolToProcMap;
87      MolToProcMap = mpiSim->getMolToProcMap();
88      
89 <    for(int i = 0; i < parameters->size(); i++){
89 >    for(int i = 0; i < (int)(parameters->size()); i++){
90        
91        globalIndexOfCurMol = (*parameters)[i].zconsIndex;
92        whichNode = MolToProcMap[globalIndexOfCurMol];
# Line 107 | Line 107 | void ZConsWriter::writeFZ(double time, int num, int* i
107          status = RequesPosAndForce;
108          MPI_Send(&status, 1, MPI_INT, whichNode, tag, MPI_COMM_WORLD);
109          MPI_Send(&globalIndexOfCurMol, 1, MPI_INT, whichNode, tag, MPI_COMM_WORLD);
110 <        MPI_Recv(&force, 1, MPI_DOUBLE_PRECISION, whichNode, tag, MPI_COMM_WORLD, &ierr);
111 <        MPI_Recv(&pos, 1, MPI_DOUBLE_PRECISION, whichNode, tag, MPI_COMM_WORLD, &ierr);
110 >        MPI_Recv(&force, 1, MPI_DOUBLE, whichNode, tag, MPI_COMM_WORLD, &ierr);
111 >        MPI_Recv(&pos, 1, MPI_DOUBLE, whichNode, tag, MPI_COMM_WORLD, &ierr);
112        }
113  
114       output << globalIndexOfCurMol << "\t" << force << "\t" << pos << endl;
# Line 142 | Line 142 | void ZConsWriter::writeFZ(double time, int num, int* i
142               break;
143             }
144      
145 <           MPI_Send(&fz[localIndex], 1, MPI_DOUBLE_PRECISION, 0, tag, MPI_COMM_WORLD);    
146 <           MPI_Send(&curZPos[localIndex], 1, MPI_DOUBLE_PRECISION, 0, tag, MPI_COMM_WORLD);      
145 >           MPI_Send(&fz[localIndex], 1, MPI_DOUBLE, 0, tag, MPI_COMM_WORLD);    
146 >           MPI_Send(&curZPos[localIndex], 1, MPI_DOUBLE, 0, tag, MPI_COMM_WORLD);      
147             break;
148        
149          case EndOfRequest :
# Line 171 | Line 171 | void ZConsWriter::writeZPos(){
171      
172      output << parameters->size() << endl;    
173      
174 <    for(int i =0 ; i < parameters->size(); i++)
174 >    for(int i =0 ; i < (int)(parameters->size()); i++)
175        output << (*parameters)[i].zconsIndex << "\t" <<  (*parameters)[i].zPos << endl;
176  
177   #ifdef IS_MPI

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