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root/OpenMD/trunk/src/math/ConvexHull.cpp
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Comparing trunk/src/math/ConvexHull.cpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC

# Line 43 | Line 43
43   *  Purpose: To calculate a convex hull.
44   */
45  
46 + #ifdef IS_MPI
47 + #include <mpi.h>
48 + #endif
49 +
50   /* Standard includes independent of library */
51  
52   #include <iostream>
# Line 53 | Line 57
57   #include "math/ConvexHull.hpp"
58   #include "utils/simError.h"
59  
56 – #ifdef IS_MPI
57 – #include <mpi.h>
58 – #endif
59 –
60   #include "math/qhull.hpp"
61  
62   #ifdef HAVE_QHULL
# Line 109 | Line 109 | void ConvexHull::computeHull(vector<StuntDouble*> body
109   #ifdef IS_MPI
110    //If we are doing the mpi version, set up some vectors for data communication
111    
112 <  int nproc = MPI::COMM_WORLD.Get_size();
113 <  int myrank = MPI::COMM_WORLD.Get_rank();
112 >  int nproc;
113 >  int myrank;
114 >  
115 >  MPI_Comm_size( MPI_COMM_WORLD, &nproc);
116 >  MPI_Comm_rank( MPI_COMM_WORLD, &myrank);
117 >
118    int localHullSites = 0;
119  
120    vector<int> hullSitesOnProc(nproc, 0);
# Line 144 | Line 148 | void ConvexHull::computeHull(vector<StuntDouble*> body
148      masses.push_back(sd->getMass());
149    }
150  
151 <  MPI::COMM_WORLD.Allgather(&localHullSites, 1, MPI::INT, &hullSitesOnProc[0],
152 <                            1, MPI::INT);
151 >  MPI_Allgather(&localHullSites, 1, MPI_INT, &hullSitesOnProc[0],
152 >                1, MPI_INT, MPI_COMM_WORLD);
153  
154    int globalHullSites = 0;
155    for (int iproc = 0; iproc < nproc; iproc++){
# Line 167 | Line 171 | void ConvexHull::computeHull(vector<StuntDouble*> body
171  
172    int count = coordsOnProc[myrank];
173    
174 <  MPI::COMM_WORLD.Allgatherv(&coords[0], count, MPI::DOUBLE, &globalCoords[0],
175 <                             &coordsOnProc[0], &vectorDisplacements[0],
176 <                             MPI::DOUBLE);
177 <
178 <  MPI::COMM_WORLD.Allgatherv(&vels[0], count, MPI::DOUBLE, &globalVels[0],
179 <                             &coordsOnProc[0], &vectorDisplacements[0],
180 <                             MPI::DOUBLE);
181 <
182 <  MPI::COMM_WORLD.Allgatherv(&masses[0], localHullSites, MPI::DOUBLE,
183 <                             &globalMasses[0], &hullSitesOnProc[0],
184 <                             &displacements[0], MPI::DOUBLE);
185 <
174 >  MPI_Allgatherv(&coords[0], count, MPI_DOUBLE, &globalCoords[0],
175 >                 &coordsOnProc[0], &vectorDisplacements[0],
176 >                 MPI_DOUBLE, MPI_COMM_WORLD);
177 >  
178 >  MPI_Allgatherv(&vels[0], count, MPI_DOUBLE, &globalVels[0],
179 >                 &coordsOnProc[0], &vectorDisplacements[0],
180 >                 MPI_DOUBLE, MPI_COMM_WORLD);
181 >  
182 >  MPI_Allgatherv(&masses[0], localHullSites, MPI_DOUBLE,
183 >                 &globalMasses[0], &hullSitesOnProc[0],
184 >                 &displacements[0], MPI_DOUBLE, MPI_COMM_WORLD);
185 >  
186    // Free previous hull
187    qh_freeqhull(!qh_ALL);
188    qh_memfreeshort(&curlong, &totlong);

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