[ViewVC] Diff of: group/trunk/mdtools/mpi_implementation/mpiSimulation.cpp

Comparing trunk/mdtools/mpi_implementation/mpiSimulation.cpp (file contents):
Revision 137 by chuckv, Wed Oct 16 20:02:05 2002 UTC vs.
Revision 195 by chuckv, Thu Dec 5 18:53:40 2002 UTC

-+
+i#include <cstdlib>
-+
+#include <cstring>
+#include <mpi.h>
-–
+#include <mpiSimulation.hpp>
-<
+mpiSimulation::mpiSimulation(void)
-<
+{
->
+#include "mpiSimulation.hpp"
->
+#include "simError.h"
-–
+//  MPI::Init();
-+
-+
+mpiSimulation::mpiSimulation(SimInfo* the_entryPlug)
-+
+{
-+
+  entryPlug = the_entryPlug;
-+
+  numberProcessors = MPI::COMM_WORLD.Get_size();
-<
+  myNode = MPI::COMM_WORLD.Get_rank();
-<
+  //  MPI::Get_processor_name(processorName,processorNameLen);
->
+  myNode = worldRank;
->
->
+  // let the simulation know were there.
->
+  entryPlug->mpiSim = this;
-+
+mpiSimulation::~mpiSimulation(){
-+
-+
+  // empty for now
-+
-+
+}
-+
-+
-+
+void mpiSimulation::divideLabor(int nComponents, MoleculeStamp** compStamps, int* componentsNmol ){
-+
-+
+  double numerator;
-+
+  double denominator;
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+  double precast;
-+
-+
+  int nTarget;
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+  int molIndex, atomIndex, compIndex, compStart;
-+
+  int done;
-+
+  int nLocal;
-+
+  int i;
-+
+  int smallDiff, bigDiff;
-+
-+
+  int testSum;
-+
-+
+  numerator = (double) entryPlug->n_atoms;
-+
+  denominator = (double) numberProcessors;
-+
+  precast = numerator / denominator;
-+
+  nTarget = (int)( precast + 0.5 );
-+
-+
+  molIndex = 0;
-+
+  atomIndex = 0;
-+
+  compIndex = 0;
-+
+  compStart = 0;
-+
+  for( i=0; i<(numberProcessors-1); i++){
-+
-+
+    done = 0;
-+
+    nLocal = 0;
-+
-+
+    if( i == myNode ){
-+
+      myMolStart = molIndex;
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+      myAtomStart = atomIndex;
-+
+    }
-+
-+
+    while( !done ){
-+
-+
+      if( (molIndex-compStart) >= componentsNmol[compIndex] ){
-+
+        compStart = molIndex;
-+
+        compIndex++;
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+        continue;
-+
+      }
-+
-+
+      nLocal += compStamps[compIndex]->getNAtoms();
-+
+      atomIndex += compStamps[compIndex]->getNAtoms();
-+
+      molIndex++;
-+
-+
+      if ( nLocal == nTarget ) done = 1;
-+
-+
+      else if( nLocal < nTarget ){
-+
+        smallDiff = nTarget - nLocal;
-+
+      }
-+
+      else if( nLocal > nTarget ){
-+
+        bigDiff = nLocal - nTarget;
-+
-+
+        if( bigDiff < smallDiff ) done = 1;
-+
+        else{
-+
+          molIndex--;
-+
+          atomIndex -= compStamps[compIndex]->getNAtoms();
-+
+          nLocal -= compStamps[compIndex]->getNAtoms();
-+
+          done = 1;
-+
+        }
-+
+      }
-+
+    }
-+
-+
+    if( i == myNode ){
-+
+      myMolEnd = (molIndex - 1);
-+
+      myAtomEnd = (atomIndex - 1);
-+
+      myNlocal = nLocal;
-+
+    }
-+
-+
+    numerator = (double)( entryPlug->n_atoms - atomIndex );
-+
+    denominator = (double)( numberProcessors - (i+1) );
-+
+    precast = numerator / denominator;
-+
+    nTarget = (int)( precast + 0.5 );
-+
+  }
-+
-+
+  if( myNode == numberProcessors-1 ){
-+
+      myMolStart = molIndex;
-+
+      myAtomStart = atomIndex;
-+
-+
+      nLocal = 0;
-+
+      while( compIndex < nComponents ){
-+
-+
+        if( (molIndex-compStart) >= componentsNmol[compIndex] ){
-+
+          compStart = molIndex;
-+
+          compIndex++;
-+
+          continue;
-+
+        }
-+
-+
+        nLocal += compStamps[compIndex]->getNAtoms();
-+
+        atomIndex += compStamps[compIndex]->getNAtoms();
-+
+        molIndex++;
-+
+      }
-+
-+
+      myMolEnd = (molIndex - 1);
-+
+      myAtomEnd = (atomIndex - 1);
-+
+      myNlocal = nLocal;
-+
+  }
-+
-+
-+
+  MPI_Allreduce( &Nlocal, &testSum, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD );
-+
-+
+  if( myNode == 0 ){
-+
+    if( testSum != entryPlug->n_atoms ){
-+
+      sprintf( painCave.errMsg,
-+
+               "The summ of all nLocals, %d, did not equal the total number of atoms, %d.\n",
-+
+               testSum, entryPlug->n_atoms );
-+
+      painCave.isFatal = 1;
-+
+      simError();
-+
+    }
-+
+  }
-+
-+
+  sprintf( checkPointMsg,
-+
+           "Successfully divided the molecules among the processors.\n" );
-+
+  MPIcheckPoint();
-+
+}

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+Removed lines
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+Added lines
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+Changed lines
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+Changed lines

Comparing trunk/mdtools/mpi_implementation/mpiSimulation.cpp (file contents): Revision 137 by chuckv, Wed Oct 16 20:02:05 2002 UTC vs. Revision 195 by chuckv, Thu Dec 5 18:53:40 2002 UTC

Diff Legend

Comparing trunk/mdtools/mpi_implementation/mpiSimulation.cpp (file contents):
Revision 137 by chuckv, Wed Oct 16 20:02:05 2002 UTC vs.
Revision 195 by chuckv, Thu Dec 5 18:53:40 2002 UTC