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using namespace OpenMD; |
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using namespace std; |
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< |
ConvexHull::ConvexHull() : Hull(), dim_(3), options_("qhull FA Qt Pp") { |
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> |
ConvexHull::ConvexHull() : Hull(), options_("qhull FA Qt Pp"), dim_(3) { |
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} |
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void ConvexHull::computeHull(vector<StuntDouble*> bodydoubles) { |
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#ifdef IS_MPI |
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//If we are doing the mpi version, set up some vectors for data communication |
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< |
int nproc = MPI::COMM_WORLD.Get_size(); |
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< |
int myrank = MPI::COMM_WORLD.Get_rank(); |
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> |
int nproc; |
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> |
int myrank; |
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> |
|
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> |
MPI_Comm_size( MPI_COMM_WORLD, &nproc); |
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> |
MPI_Comm_rank( MPI_COMM_WORLD, &myrank); |
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> |
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int localHullSites = 0; |
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vector<int> hullSitesOnProc(nproc, 0); |
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masses.push_back(sd->getMass()); |
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} |
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|
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< |
MPI::COMM_WORLD.Allgather(&localHullSites, 1, MPI::INT, &hullSitesOnProc[0], |
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< |
1, MPI::INT); |
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> |
MPI_Allgather(&localHullSites, 1, MPI_INT, &hullSitesOnProc[0], |
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> |
1, MPI_INT, MPI_COMM_WORLD); |
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int globalHullSites = 0; |
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for (int iproc = 0; iproc < nproc; iproc++){ |
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int count = coordsOnProc[myrank]; |
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< |
MPI::COMM_WORLD.Allgatherv(&coords[0], count, MPI::DOUBLE, &globalCoords[0], |
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< |
&coordsOnProc[0], &vectorDisplacements[0], |
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< |
MPI::DOUBLE); |
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< |
|
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< |
MPI::COMM_WORLD.Allgatherv(&vels[0], count, MPI::DOUBLE, &globalVels[0], |
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< |
&coordsOnProc[0], &vectorDisplacements[0], |
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< |
MPI::DOUBLE); |
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< |
|
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< |
MPI::COMM_WORLD.Allgatherv(&masses[0], localHullSites, MPI::DOUBLE, |
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< |
&globalMasses[0], &hullSitesOnProc[0], |
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< |
&displacements[0], MPI::DOUBLE); |
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< |
|
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> |
MPI_Allgatherv(&coords[0], count, MPI_DOUBLE, &globalCoords[0], |
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> |
&coordsOnProc[0], &vectorDisplacements[0], |
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> |
MPI_DOUBLE, MPI_COMM_WORLD); |
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> |
|
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> |
MPI_Allgatherv(&vels[0], count, MPI_DOUBLE, &globalVels[0], |
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> |
&coordsOnProc[0], &vectorDisplacements[0], |
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> |
MPI_DOUBLE, MPI_COMM_WORLD); |
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> |
|
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> |
MPI_Allgatherv(&masses[0], localHullSites, MPI_DOUBLE, |
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> |
&globalMasses[0], &hullSitesOnProc[0], |
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> |
&displacements[0], MPI_DOUBLE, MPI_COMM_WORLD); |
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> |
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// Free previous hull |
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qh_freeqhull(!qh_ALL); |
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qh_memfreeshort(&curlong, &totlong); |
