| 1 |
< |
#include <mpi++.h> |
| 2 |
< |
#include <mpiSimulation.hpp> |
| 1 |
> |
i#include <cstdlib> |
| 2 |
> |
#include <cstring> |
| 3 |
> |
#include <mpi.h> |
| 4 |
|
|
| 5 |
< |
mpiSimulation::mpiSimulation() |
| 5 |
> |
#include "mpiSimulation.hpp" |
| 6 |
> |
#include "simError.h" |
| 7 |
> |
|
| 8 |
> |
|
| 9 |
> |
|
| 10 |
> |
mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) |
| 11 |
|
{ |
| 12 |
< |
int mpi_error; |
| 12 |
> |
entryPlug = the_entryPlug; |
| 13 |
> |
|
| 14 |
> |
numberProcessors = MPI::COMM_WORLD.Get_size(); |
| 15 |
> |
myNode = worldRank; |
| 16 |
> |
|
| 17 |
> |
// let the simulation know were there. |
| 18 |
> |
entryPlug->mpiSim = this; |
| 19 |
> |
} |
| 20 |
|
|
| 8 |
– |
MPI::Init(); |
| 21 |
|
|
| 22 |
< |
numberProcessors = MPI::Comm::Get_size(); |
| 23 |
< |
myNode = MPI::Comm::Get_rank(); |
| 24 |
< |
MPI::Get_processor_name(processorName,&processorNameLen); |
| 22 |
> |
mpiSimulation::~mpiSimulation(){ |
| 23 |
> |
|
| 24 |
> |
// empty for now |
| 25 |
> |
|
| 26 |
|
} |
| 27 |
|
|
| 15 |
– |
mpiSimulation::mpiInitSimulation(SimInfo* entry_plug) |
| 16 |
– |
{ |
| 28 |
|
|
| 29 |
< |
// need to get nmol here...... |
| 29 |
> |
void mpiSimulation::divideLabor( void ){ |
| 30 |
|
|
| 31 |
+ |
int nComponents; |
| 32 |
+ |
MoleculeStamp** compStamps; |
| 33 |
+ |
int* componentsNmol; |
| 34 |
|
|
| 35 |
+ |
double numerator; |
| 36 |
+ |
double denominator; |
| 37 |
+ |
double precast; |
| 38 |
|
|
| 39 |
< |
myMolStart = nint(float(node)/numberProcessors*entry_plug->n_mol); |
| 40 |
< |
myMolEnd = nint(float(node + 1)/numberProcessors*entry_plug->n_mol;); |
| 41 |
< |
nMolLocal = myMolEnd - myMolStart + 1 |
| 39 |
> |
int nTarget; |
| 40 |
> |
int molIndex, atomIndex, compIndex, compStart; |
| 41 |
> |
int done; |
| 42 |
> |
int nLocal, molLocal; |
| 43 |
> |
int i; |
| 44 |
> |
int smallDiff, bigDiff; |
| 45 |
> |
|
| 46 |
> |
int testSum; |
| 47 |
> |
|
| 48 |
> |
nComponents = entryPlug->nComponents; |
| 49 |
> |
compStamps = entryPlug->compStamps; |
| 50 |
> |
componentsNmol = entryPlug->componentsNmol; |
| 51 |
> |
|
| 52 |
> |
numerator = (double) entryPlug->n_atoms; |
| 53 |
> |
denominator = (double) numberProcessors; |
| 54 |
> |
precast = numerator / denominator; |
| 55 |
> |
nTarget = (int)( precast + 0.5 ); |
| 56 |
> |
|
| 57 |
> |
molIndex = 0; |
| 58 |
> |
atomIndex = 0; |
| 59 |
> |
compIndex = 0; |
| 60 |
> |
compStart = 0; |
| 61 |
> |
for( i=0; i<(numberProcessors-1); i++){ |
| 62 |
> |
|
| 63 |
> |
done = 0; |
| 64 |
> |
nLocal = 0; |
| 65 |
> |
molLocal = 0; |
| 66 |
> |
|
| 67 |
> |
if( i == myNode ){ |
| 68 |
> |
myMolStart = molIndex; |
| 69 |
> |
myAtomStart = atomIndex; |
| 70 |
> |
} |
| 71 |
> |
|
| 72 |
> |
while( !done ){ |
| 73 |
> |
|
| 74 |
> |
if( (molIndex-compStart) >= componentsNmol[compIndex] ){ |
| 75 |
> |
compStart = molIndex; |
| 76 |
> |
compIndex++; |
| 77 |
> |
continue; |
| 78 |
> |
} |
| 79 |
> |
|
| 80 |
> |
nLocal += compStamps[compIndex]->getNAtoms(); |
| 81 |
> |
atomIndex += compStamps[compIndex]->getNAtoms(); |
| 82 |
> |
molIndex++; |
| 83 |
> |
molLocal++; |
| 84 |
> |
|
| 85 |
> |
if ( nLocal == nTarget ) done = 1; |
| 86 |
> |
|
| 87 |
> |
else if( nLocal < nTarget ){ |
| 88 |
> |
smallDiff = nTarget - nLocal; |
| 89 |
> |
} |
| 90 |
> |
else if( nLocal > nTarget ){ |
| 91 |
> |
bigDiff = nLocal - nTarget; |
| 92 |
> |
|
| 93 |
> |
if( bigDiff < smallDiff ) done = 1; |
| 94 |
> |
else{ |
| 95 |
> |
molIndex--; |
| 96 |
> |
molLocal--; |
| 97 |
> |
atomIndex -= compStamps[compIndex]->getNAtoms(); |
| 98 |
> |
nLocal -= compStamps[compIndex]->getNAtoms(); |
| 99 |
> |
done = 1; |
| 100 |
> |
} |
| 101 |
> |
} |
| 102 |
> |
} |
| 103 |
> |
|
| 104 |
> |
if( i == myNode ){ |
| 105 |
> |
myMolEnd = (molIndex - 1); |
| 106 |
> |
myAtomEnd = (atomIndex - 1); |
| 107 |
> |
myNlocal = nLocal; |
| 108 |
> |
myMol = molLocal; |
| 109 |
> |
} |
| 110 |
> |
|
| 111 |
> |
numerator = (double)( entryPlug->n_atoms - atomIndex ); |
| 112 |
> |
denominator = (double)( numberProcessors - (i+1) ); |
| 113 |
> |
precast = numerator / denominator; |
| 114 |
> |
nTarget = (int)( precast + 0.5 ); |
| 115 |
> |
} |
| 116 |
> |
|
| 117 |
> |
if( myNode == numberProcessors-1 ){ |
| 118 |
> |
myMolStart = molIndex; |
| 119 |
> |
myAtomStart = atomIndex; |
| 120 |
> |
|
| 121 |
> |
nLocal = 0; |
| 122 |
> |
molLocal = 0; |
| 123 |
> |
while( compIndex < nComponents ){ |
| 124 |
> |
|
| 125 |
> |
if( (molIndex-compStart) >= componentsNmol[compIndex] ){ |
| 126 |
> |
compStart = molIndex; |
| 127 |
> |
compIndex++; |
| 128 |
> |
continue; |
| 129 |
> |
} |
| 130 |
> |
|
| 131 |
> |
nLocal += compStamps[compIndex]->getNAtoms(); |
| 132 |
> |
atomIndex += compStamps[compIndex]->getNAtoms(); |
| 133 |
> |
molIndex++; |
| 134 |
> |
molLocal++; |
| 135 |
> |
} |
| 136 |
> |
|
| 137 |
> |
myMolEnd = (molIndex - 1); |
| 138 |
> |
myAtomEnd = (atomIndex - 1); |
| 139 |
> |
myNlocal = nLocal; |
| 140 |
> |
myMol = molLocal; |
| 141 |
> |
} |
| 142 |
> |
|
| 143 |
> |
|
| 144 |
> |
MPI_Allreduce( &Nlocal, &testSum, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD ); |
| 145 |
> |
|
| 146 |
> |
if( myNode == 0 ){ |
| 147 |
> |
if( testSum != entryPlug->n_atoms ){ |
| 148 |
> |
sprintf( painCave.errMsg, |
| 149 |
> |
"The summ of all nLocals, %d, did not equal the total number of atoms, %d.\n", |
| 150 |
> |
testSum, entryPlug->n_atoms ); |
| 151 |
> |
painCave.isFatal = 1; |
| 152 |
> |
simError(); |
| 153 |
> |
} |
| 154 |
> |
} |
| 155 |
> |
|
| 156 |
> |
sprintf( checkPointMsg, |
| 157 |
> |
"Successfully divided the molecules among the processors.\n" ); |
| 158 |
> |
MPIcheckPoint(); |
| 159 |
> |
|
| 160 |
> |
// lets create the identity array |
| 161 |
|
} |
